2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine

C13H28N2O — CID 61427073

IUPAC2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(C)CCOC)C1
InChIInChI=1S/C13H28N2O/c1-4-11-5-6-12(10-14)13(9-11)15(2)7-8-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyLYKRDHHYDWYOGV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds6

About 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine

2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine (PubChem CID 61427073) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
PubChem CID61427073
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(C)CCOC)C1
InChIInChI=1S/C13H28N2O/c1-4-11-5-6-12(10-14)13(9-11)15(2)7-8-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyLYKRDHHYDWYOGV-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
CID 55001186
ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate
CID 63404510
3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 106914850
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80997660
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-(aminomethyl)-N-cyclohexyl-5-ethyl-N-methylcyclohexan-1-amine
CID 43329364
N-[2-(aminomethyl)-5-ethylcyclohexyl]-N-methylcycloheptanamine
CID 43613832
2-(aminomethyl)-5-ethyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61431165
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
2-(aminomethyl)-N,5-dimethyl-N-propylcyclohexan-1-amine
CID 43293723

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine (CID 61427073) is 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine is CCC1CCC(CN)C(N(C)CCOC)C1.
What is the InChIKey of 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine?
The InChIKey is LYKRDHHYDWYOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-11-5-6-12(10-14)13(9-11)15(2)7-8-16-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine?
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 61427073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).