N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine

C19H35N — CID 123732506

IUPACN-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine
SMILESC=CC(=CC)CCCCCCCNCC1CCCCC1
InChIInChI=1S/C19H35N/c1-3-18(4-2)13-9-6-5-7-12-16-20-17-19-14-10-8-11-15-19/h3-4,19-20H,1,5-17H2,2H3
InChIKeyLJSCTYQJFZQVOH-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.63
Rot. Bonds11

About N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine

N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine (PubChem CID 123732506) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine
PubChem CID123732506
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC NameN-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine
SMILESC=CC(=CC)CCCCCCCNCC1CCCCC1
InChIInChI=1S/C19H35N/c1-3-18(4-2)13-9-6-5-7-12-16-20-17-19-14-10-8-11-15-19/h3-4,19-20H,1,5-17H2,2H3
InChIKeyLJSCTYQJFZQVOH-UHFFFAOYSA-N
XLogP5.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine (CID 123732506) is N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine is C=CC(=CC)CCCCCCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine?
The InChIKey is LJSCTYQJFZQVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-3-18(4-2)13-9-6-5-7-12-16-20-17-19-14-10-8-11-15-19/h3-4,19-20H,1,5-17H2,2H3.
What are the key properties of N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine?
N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.63, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-8-ethenyldec-8-en-1-amine is sourced from PubChem (CID 123732506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).