N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine

C17H35NO2 — CID 20552436

IUPACN-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine
SMILESCCCCCCCC(NCC1CCCCC1)(OC)OC
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-11-14-17(19-2,20-3)18-15-16-12-9-8-10-13-16/h16,18H,4-15H2,1-3H3
InChIKeyGWBAMQLUOPKPCA-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.46
Rot. Bonds11

About N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine

N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine (PubChem CID 20552436) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine
PubChem CID20552436
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine
SMILESCCCCCCCC(NCC1CCCCC1)(OC)OC
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-11-14-17(19-2,20-3)18-15-16-12-9-8-10-13-16/h16,18H,4-15H2,1-3H3
InChIKeyGWBAMQLUOPKPCA-UHFFFAOYSA-N
XLogP4.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine (CID 20552436) is N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine is CCCCCCCC(NCC1CCCCC1)(OC)OC.
What is the InChIKey of N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine?
The InChIKey is GWBAMQLUOPKPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-5-6-7-11-14-17(19-2,20-3)18-15-16-12-9-8-10-13-16/h16,18H,4-15H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine?
N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,1-dimethoxyoctan-1-amine is sourced from PubChem (CID 20552436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).