1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine

C19H37N — CID 91004662

IUPAC1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine
SMILESC=C(CC)CC(C)(C)CCC(CC1CCCCC1)NC
InChIInChI=1S/C19H37N/c1-6-16(2)15-19(3,4)13-12-18(20-5)14-17-10-8-7-9-11-17/h17-18,20H,2,6-15H2,1,3-5H3
InChIKeyWSUDIBDOYZZRJK-UHFFFAOYSA-N
MW279.51 g/mol
LogP5.71
Rot. Bonds9

About 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine

1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine (PubChem CID 91004662) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine
PubChem CID91004662
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine
SMILESC=C(CC)CC(C)(C)CCC(CC1CCCCC1)NC
InChIInChI=1S/C19H37N/c1-6-16(2)15-19(3,4)13-12-18(20-5)14-17-10-8-7-9-11-17/h17-18,20H,2,6-15H2,1,3-5H3
InChIKeyWSUDIBDOYZZRJK-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 55.71
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 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine?
The IUPAC name of 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine (CID 91004662) is 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine?
The canonical SMILES for 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine is C=C(CC)CC(C)(C)CCC(CC1CCCCC1)NC.
What is the InChIKey of 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine?
The InChIKey is WSUDIBDOYZZRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N/c1-6-16(2)15-19(3,4)13-12-18(20-5)14-17-10-8-7-9-11-17/h17-18,20H,2,6-15H2,1,3-5H3.
What are the key properties of 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine?
1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine has a molecular weight of 279.51 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine is sourced from PubChem (CID 91004662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).