(7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine

C21H39F2N — CID 146492450

IUPAC(7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine
SMILESCCC(CC(C)C)C(C/C(C)=C/C=C(/F)CF)CC(C)C(C)CN
InChIInChI=1S/C21H39F2N/c1-7-19(10-15(2)3)20(12-17(5)18(6)14-24)11-16(4)8-9-21(23)13-22/h8-9,15,17-20H,7,10-14,24H2,1-6H3/b16-8+,21-9+
InChIKeySMXKCJCTZNAWIH-GLRRQXCISA-N
MW343.55 g/mol
LogP6.46
Rot. Bonds12

About (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine

(7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine (PubChem CID 146492450) has the molecular formula C21H39F2N and a molecular weight of 343.55 g/mol. Its IUPAC name is (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine.

Molecular Properties

Compound Name(7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine
PubChem CID146492450
Molecular FormulaC21H39F2N
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Name(7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine
SMILESCCC(CC(C)C)C(C/C(C)=C/C=C(/F)CF)CC(C)C(C)CN
InChIInChI=1S/C21H39F2N/c1-7-19(10-15(2)3)20(12-17(5)18(6)14-24)11-16(4)8-9-21(23)13-22/h8-9,15,17-20H,7,10-14,24H2,1-6H3/b16-8+,21-9+
InChIKeySMXKCJCTZNAWIH-GLRRQXCISA-N
XLogP6.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.55
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine with MolForge

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Related Compounds

5-(aminomethyl)-2-methylheptan-4-ol
CID 65187754
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid
CID 163817933
2-(1-fluoroethyl)-4-methylpentan-1-amine
CID 105429103
6-ethyl-2,4,5,8-tetramethylnon-2-ene
CID 123866412
(1E,3Z)-1-amino-4,6,8-trimethyldeca-1,3-diene-1-thiol
CID 146415610
(2S)-2-fluoro-4-methylpentan-1-amine
CID 129375468
3,4-diethyl-2,6-dimethylhept-1-ene
CID 123692241
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922
3-ethyl-2-methylpentane-1,5-diamine
CID 88540021
3-ethyl-2-methylhexan-1-amine
CID 91121737
5-ethyl-2,4-dimethylhept-1-ene
CID 90728218

Frequently Asked Questions

What is the IUPAC name of (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine?
The IUPAC name of (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine (CID 146492450) is (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine.
What is the SMILES notation for (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine?
The canonical SMILES for (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine is CCC(CC(C)C)C(C/C(C)=C/C=C(/F)CF)CC(C)C(C)CN.
What is the InChIKey of (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine?
The InChIKey is SMXKCJCTZNAWIH-GLRRQXCISA-N. The full InChI is InChI=1S/C21H39F2N/c1-7-19(10-15(2)3)20(12-17(5)18(6)14-24)11-16(4)8-9-21(23)13-22/h8-9,15,17-20H,7,10-14,24H2,1-6H3/b16-8+,21-9+.
What are the key properties of (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine?
(7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine has a molecular weight of 343.55 g/mol, XLogP of 6.46, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E)-10,11-difluoro-2,3,7-trimethyl-5-(5-methylhexan-3-yl)undeca-7,9-dien-1-amine is sourced from PubChem (CID 146492450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).