1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine

C18H38N2 — CID 63485990

IUPAC1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
SMILESCCCCCCCCN(CC)C1(CN)CCCC(C)C1
InChIInChI=1S/C18H38N2/c1-4-6-7-8-9-10-14-20(5-2)18(16-19)13-11-12-17(3)15-18/h17H,4-16,19H2,1-3H3
InChIKeyAPDQAPDOVIRNKI-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.58
Rot. Bonds10

About 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine

1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine (PubChem CID 63485990) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
PubChem CID63485990
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
SMILESCCCCCCCCN(CC)C1(CN)CCCC(C)C1
InChIInChI=1S/C18H38N2/c1-4-6-7-8-9-10-14-20(5-2)18(16-19)13-11-12-17(3)15-18/h17H,4-16,19H2,1-3H3
InChIKeyAPDQAPDOVIRNKI-UHFFFAOYSA-N
XLogP4.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)-3-methylcyclohexan-1-amine
CID 80698860
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
CID 63481513
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897
3-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-propan-2-ylpropanamide
CID 62624505
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
N'-[1-(aminomethyl)-3-methoxycyclohexyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 106872798
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 63485980
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
1-(aminomethyl)-N-ethyl-3-methyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 63487026
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine (CID 63485990) is 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine is CCCCCCCCN(CC)C1(CN)CCCC(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine?
The InChIKey is APDQAPDOVIRNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-4-6-7-8-9-10-14-20(5-2)18(16-19)13-11-12-17(3)15-18/h17H,4-16,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine has a molecular weight of 282.52 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine is sourced from PubChem (CID 63485990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).