N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine

C18H35N — CID 126510679

IUPACN-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine
SMILESC=C(C)CCCC(C)CC(=C)NC(CCC)CCC
InChIInChI=1S/C18H35N/c1-7-10-18(11-8-2)19-17(6)14-16(5)13-9-12-15(3)4/h16,18-19H,3,6-14H2,1-2,4-5H3
InChIKeyKLCPHDYBQRMFRJ-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.83
Rot. Bonds12

About N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine

N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine (PubChem CID 126510679) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine.

Molecular Properties

Compound NameN-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine
PubChem CID126510679
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine
SMILESC=C(C)CCCC(C)CC(=C)NC(CCC)CCC
InChIInChI=1S/C18H35N/c1-7-10-18(11-8-2)19-17(6)14-16(5)13-9-12-15(3)4/h16,18-19H,3,6-14H2,1-2,4-5H3
InChIKeyKLCPHDYBQRMFRJ-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorobut-3-enyl)-4,4,7,8-tetramethylnon-1-en-2-amine
CID 126559121
2-fluoro-2-methyl-N-[4-[(1S,4S)-4-methylcycloheptyl]but-1-en-2-yl]propan-1-amine
CID 156099681
2-fluoro-3,3,14-trimethyl-N-[(E)-2-methylhex-3-en-3-yl]pentadec-14-en-1-amine
CID 169875938
2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
N-(3-cyclohexylpropyl)-11-fluoroundec-1-en-2-amine
CID 169971563
2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
CID 174252655
(2R,3S,5S,6R)-2-deca-3,4,9-trienyl-3,5-dimethyl-6-(2-methylprop-2-enyl)piperidine
CID 134951790
N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
CID 142110250
(E)-9-N-(9-amino-2-fluoro-3-methylnonyl)-7,10-dimethyl-1-N-propan-2-ylundec-8-ene-1,9-diamine
CID 156802548
1-N,8-N-bis[(E)-dec-1-enyl]-5-methylnonane-1,8-diamine
CID 21069702
3,7-Dimethyl-2-methylideneazepane
CID 53994160
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
CID 58185963

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine?
The IUPAC name of N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine (CID 126510679) is N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine.
What is the SMILES notation for N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine?
The canonical SMILES for N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine is C=C(C)CCCC(C)CC(=C)NC(CCC)CCC.
What is the InChIKey of N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine?
The InChIKey is KLCPHDYBQRMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-7-10-18(11-8-2)19-17(6)14-16(5)13-9-12-15(3)4/h16,18-19H,3,6-14H2,1-2,4-5H3.
What are the key properties of N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine?
N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.83, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine is sourced from PubChem (CID 126510679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).