7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene

C18H31F2N — CID 143142075

IUPAC7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene
SMILESC=CC(C)C.C=CCNC(=C)C(=C)C(C)CCC(C)(F)F
InChIInChI=1S/C13H21F2N.C5H10/c1-6-9-16-12(4)11(3)10(2)7-8-13(5,14)15;1-4-5(2)3/h6,10,16H,1,3-4,7-9H2,2,5H3;4-5H,1H2,2-3H3
InChIKeyPEXRHQWOHKSMQI-UHFFFAOYSA-N
MW299.45 g/mol
LogP5.73
Rot. Bonds9

About 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene

7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene (PubChem CID 143142075) has the molecular formula C18H31F2N and a molecular weight of 299.45 g/mol. Its IUPAC name is 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene.

Molecular Properties

Compound Name7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene
PubChem CID143142075
Molecular FormulaC18H31F2N
Molecular Weight299.45 g/mol
Exact Mass299.24
IUPAC Name7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene
SMILESC=CC(C)C.C=CCNC(=C)C(=C)C(C)CCC(C)(F)F
InChIInChI=1S/C13H21F2N.C5H10/c1-6-9-16-12(4)11(3)10(2)7-8-13(5,14)15;1-4-5(2)3/h6,10,16H,1,3-4,7-9H2,2,5H3;4-5H,1H2,2-3H3
InChIKeyPEXRHQWOHKSMQI-UHFFFAOYSA-N
XLogP5.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.45
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene with MolForge

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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
N-(2-ethylhexyl)-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 117695513
(Z)-N-[(3E,5Z)-4-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl]-3-[(Z)-prop-1-enyl]-4-propylhept-2-en-1-amine
CID 134293638
5-fluoro-6-methyl-N-(3-methylbuta-1,3-dien-2-yl)heptan-1-amine
CID 135276332
(7E)-6-ethyl-8-[(1E,4E)-3-ethyl-5-methylocta-1,4-dienyl]-7-(1-fluoroethenyl)-1,2,3,4,5,6-hexahydroazocine
CID 139423605
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
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
N-[1-[3-(2,2-difluoroethyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-methylhexan-3-amine
CID 166669730
N-[1-[5-(2,2-difluoroethyl)cyclohexa-2,4-dien-1-yl]ethenyl]-2-methylhex-1-en-3-amine
CID 166734820
N-[(E)-3-[4-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-yl]-2-methylprop-1-enyl]-3-methylhept-1-en-2-amine
CID 169620930
(3Z)-2-N-methyl-5-N-[3-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]hexa-1,3,5-triene-2,5-diamine
CID 170212781
(5Z)-4-[(3Z,5Z)-3,4-difluoro-2-methylidenehepta-3,5-dienyl]-7-N-[(3Z)-6-fluorohexa-1,3-dien-2-yl]-1-N,5-dimethyl-6-prop-1-en-2-ylocta-5,7-diene-1,7-diamine
CID 173958548

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene?
The IUPAC name of 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene (CID 143142075) is 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene.
What is the SMILES notation for 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene?
The canonical SMILES for 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene is C=CC(C)C.C=CCNC(=C)C(=C)C(C)CCC(C)(F)F.
What is the InChIKey of 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene?
The InChIKey is PEXRHQWOHKSMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N.C5H10/c1-6-9-16-12(4)11(3)10(2)7-8-13(5,14)15;1-4-5(2)3/h6,10,16H,1,3-4,7-9H2,2,5H3;4-5H,1H2,2-3H3.
What are the key properties of 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene?
7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene has a molecular weight of 299.45 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-4-methyl-3-methylidene-N-prop-2-enyloct-1-en-2-amine;3-methylbut-1-ene is sourced from PubChem (CID 143142075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).