N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine

C24H45NO — CID 138519255

IUPACN-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine
SMILESCCCCCCCCCN(CC1C=CC(OC)CC1)CC1CCCCC1
InChIInChI=1S/C24H45NO/c1-3-4-5-6-7-8-12-19-25(20-22-13-10-9-11-14-22)21-23-15-17-24(26-2)18-16-23/h15,17,22-24H,3-14,16,18-21H2,1-2H3
InChIKeyOEMKBJMLHZVIAP-UHFFFAOYSA-N
MW363.63 g/mol
LogP6.60
Rot. Bonds13

About N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine

N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine (PubChem CID 138519255) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine
PubChem CID138519255
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC NameN-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine
SMILESCCCCCCCCCN(CC1C=CC(OC)CC1)CC1CCCCC1
InChIInChI=1S/C24H45NO/c1-3-4-5-6-7-8-12-19-25(20-22-13-10-9-11-14-22)21-23-15-17-24(26-2)18-16-23/h15,17,22-24H,3-14,16,18-21H2,1-2H3
InChIKeyOEMKBJMLHZVIAP-UHFFFAOYSA-N
XLogP6.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine (CID 138519255) is N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine is CCCCCCCCCN(CC1C=CC(OC)CC1)CC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine?
The InChIKey is OEMKBJMLHZVIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO/c1-3-4-5-6-7-8-12-19-25(20-22-13-10-9-11-14-22)21-23-15-17-24(26-2)18-16-23/h15,17,22-24H,3-14,16,18-21H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine?
N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine has a molecular weight of 363.63 g/mol, XLogP of 6.60, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[(4-methoxycyclohex-2-en-1-yl)methyl]nonan-1-amine is sourced from PubChem (CID 138519255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).