(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine

C16H25FN2 — CID 134187781

IUPAC(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
SMILESC=C(C)/C(=C\C(F)=C(/C)NC(CC)C1CC1)C(=C)N
InChIInChI=1S/C16H25FN2/c1-6-16(13-7-8-13)19-12(5)15(17)9-14(10(2)3)11(4)18/h9,13,16,19H,2,4,6-8,18H2,1,3,5H3/b14-9+,15-12-
InChIKeyZULDYSXKOXSJID-QRHUXVGTSA-N
MW264.39 g/mol
LogP3.94
Rot. Bonds7

About (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine

(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine (PubChem CID 134187781) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine.

Molecular Properties

Compound Name(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
PubChem CID134187781
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
SMILESC=C(C)/C(=C\C(F)=C(/C)NC(CC)C1CC1)C(=C)N
InChIInChI=1S/C16H25FN2/c1-6-16(13-7-8-13)19-12(5)15(17)9-14(10(2)3)11(4)18/h9,13,16,19H,2,4,6-8,18H2,1,3,5H3/b14-9+,15-12-
InChIKeyZULDYSXKOXSJID-QRHUXVGTSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
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
(3E,5R,6E)-2-(1,2,4a,5,6,7-hexahydroquinolin-3-yl)-8,8-difluoro-5,7-dimethylocta-1,3,6-trien-3-amine
CID 130242712
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
6-(1-aminopropyl)-N-[(6Z,10Z)-12-fluoro-4,10-dimethyl-9-propan-2-ylidenedodeca-6,10-dien-4-yl]cyclohepta-1,3,4,6-tetraen-1-amine
CID 134478957
(2E,4E,6E,8E)-5-(cyclopropylmethyl)-2-ethenyl-N-ethyl-9-fluoro-3-methyl-6-[(Z)-prop-1-enyl]nona-2,4,6,8-tetraen-1-amine
CID 134594022
N-(cyclopropylmethyl)-2-fluoro-5-[(3E,5Z)-6-methylocta-3,5-dien-1-yn-4-yl]cyclohexa-1,5-dien-1-amine
CID 139541254
(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
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
1-[3-(2-cyclopropylethyl)-4-fluorocyclohexa-1,3-dien-1-yl]-N-methylpropan-1-amine
CID 154966754
(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

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine?
The IUPAC name of (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine (CID 134187781) is (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine.
What is the SMILES notation for (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine?
The canonical SMILES for (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine is C=C(C)/C(=C\C(F)=C(/C)NC(CC)C1CC1)C(=C)N.
What is the InChIKey of (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine?
The InChIKey is ZULDYSXKOXSJID-QRHUXVGTSA-N. The full InChI is InChI=1S/C16H25FN2/c1-6-16(13-7-8-13)19-12(5)15(17)9-14(10(2)3)11(4)18/h9,13,16,19H,2,4,6-8,18H2,1,3,5H3/b14-9+,15-12-.
What are the key properties of (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine?
(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine is sourced from PubChem (CID 134187781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).