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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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).