(3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine

C29H43FN2 — CID 170359714

IUPAC(3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine
SMILESC=C(N/C(=C/C(=C/CCC)C1CC1)CC)C(C)/C(=C/N1C=CC(C(C)F)=CC1=C)CCC
InChIInChI=1S/C29H43FN2/c1-8-11-13-27(25-14-15-25)19-29(10-3)31-24(7)22(5)28(12-9-2)20-32-17-16-26(23(6)30)18-21(32)4/h13,16-20,22-23,25,31H,4,7-12,14-15H2,1-3,5-6H3/b27-13-,28-20+,29-19+
InChIKeyGEUDMUCFSZAULR-IGDJSAAVSA-N
MW438.68 g/mol
LogP8.47
Rot. Bonds13

About (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine

(3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine (PubChem CID 170359714) has the molecular formula C29H43FN2 and a molecular weight of 438.68 g/mol. Its IUPAC name is (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine
PubChem CID170359714
Molecular FormulaC29H43FN2
Molecular Weight438.68 g/mol
Exact Mass438.34
IUPAC Name(3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine
SMILESC=C(N/C(=C/C(=C/CCC)C1CC1)CC)C(C)/C(=C/N1C=CC(C(C)F)=CC1=C)CCC
InChIInChI=1S/C29H43FN2/c1-8-11-13-27(25-14-15-25)19-29(10-3)31-24(7)22(5)28(12-9-2)20-32-17-16-26(23(6)30)18-21(32)4/h13,16-20,22-23,25,31H,4,7-12,14-15H2,1-3,5-6H3/b27-13-,28-20+,29-19+
InChIKeyGEUDMUCFSZAULR-IGDJSAAVSA-N
XLogP8.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-cyclopropyl-5-N-[(E)-2-[(E)-2-fluoro-3-methylidenepent-1-enyl]dec-2-enyl]-4-methylhex-5-ene-1,5-diamine
CID 126583214
3-N-[(3E,5E,6E)-5-[(Z)-but-2-enylidene]-10-fluoro-4,10-dimethylundeca-1,3,6-trien-2-yl]-1-N-ethenyl-2-ethylbut-3-ene-1,3-diamine
CID 130285114
1-[(3Z,5E)-3-cyclopropyl-5-(2-fluoropropan-2-yl)hepta-1,3,5-trien-2-yl]piperazine
CID 131995787
(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187781
(2Z,5E)-1-(3-fluoro-4-methyl-6-bicyclo[3.1.0]hexa-1,3-dienyl)-4-(2-pyrrolidin-1-ylethyl)octa-2,5-dien-2-amine
CID 137419257
(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine
CID 146550620
N-[1-[4-[(E)-but-2-en-2-yl]cyclohexa-1,3-dien-1-yl]ethenyl]-2-ethyl-4-fluoro-4-methylpentan-1-amine
CID 146578963
(3Z)-5-[(3Z,5E)-6-(1H-azirin-2-yl)-3-(1-fluoroethenyl)-4-methylhepta-3,5-dien-2-yl]-3-[(Z)-but-2-enylidene]-4-propyl-1,2-dihydropyrrole
CID 155062495
4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
CID 155204879
8-N-[(3E,5E)-6-[[(2Z,4Z)-2-cyclobutylhexa-2,4-dien-3-yl]-ethylamino]-3-ethenyl-2-methylidenehepta-3,5-dienyl]-8-N-ethenyl-4-fluoro-1-N,4-dimethylnon-8-ene-1,8-diamine
CID 155274676
(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine
CID 165397845
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine (CID 170359714) is (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine is C=C(N/C(=C/C(=C/CCC)C1CC1)CC)C(C)/C(=C/N1C=CC(C(C)F)=CC1=C)CCC.
What is the InChIKey of (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine?
The InChIKey is GEUDMUCFSZAULR-IGDJSAAVSA-N. The full InChI is InChI=1S/C29H43FN2/c1-8-11-13-27(25-14-15-25)19-29(10-3)31-24(7)22(5)28(12-9-2)20-32-17-16-26(23(6)30)18-21(32)4/h13,16-20,22-23,25,31H,4,7-12,14-15H2,1-3,5-6H3/b27-13-,28-20+,29-19+.
What are the key properties of (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine?
(3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine has a molecular weight of 438.68 g/mol, XLogP of 8.47, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-cyclopropyl-N-[(4E)-4-[[4-(1-fluoroethyl)-2-methylidene-1-pyridinyl]methylidene]-3-methylhept-1-en-2-yl]nona-3,5-dien-3-amine is sourced from PubChem (CID 170359714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).