1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine

C13H28N2O — CID 102697177

IUPAC1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine
SMILESCCC1CCCC(CN)(NCC(C)OC)C1
InChIInChI=1S/C13H28N2O/c1-4-12-6-5-7-13(8-12,10-14)15-9-11(2)16-3/h11-12,15H,4-10,14H2,1-3H3
InChIKeyGNKLDYXNKVEIRL-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.91
Rot. Bonds6

About 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine

1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine (PubChem CID 102697177) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine
PubChem CID102697177
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine
SMILESCCC1CCCC(CN)(NCC(C)OC)C1
InChIInChI=1S/C13H28N2O/c1-4-12-6-5-7-13(8-12,10-14)15-9-11(2)16-3/h11-12,15H,4-10,14H2,1-3H3
InChIKeyGNKLDYXNKVEIRL-UHFFFAOYSA-N
XLogP1.91
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine
CID 102697325
1-(aminomethyl)-N-cyclohexyl-3-ethylcyclohexan-1-amine
CID 65383479
4-(aminomethyl)-1-ethyl-N-(2-methoxypropyl)piperidin-4-amine
CID 102697133
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 114153855
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
1-(aminomethyl)-3-ethyl-N-(2-methylprop-2-enyl)cyclopentan-1-amine
CID 114616252
1-(aminomethyl)-N-(2-methoxypropyl)-4-phenylcyclohexan-1-amine
CID 102697260
1-(aminomethyl)-4-ethyl-N-(3-methyl-2-propan-2-ylbutyl)cyclohexan-1-amine
CID 102912303
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
CID 115406357
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449251
3-(aminomethyl)-N-(2-methoxypropyl)-2-methylthian-3-amine
CID 102697085
1-(aminomethyl)-N-(2-cyclobutylethyl)-3-methoxycyclohexan-1-amine
CID 106872752

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine (CID 102697177) is 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine is CCC1CCCC(CN)(NCC(C)OC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine?
The InChIKey is GNKLDYXNKVEIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12-6-5-7-13(8-12,10-14)15-9-11(2)16-3/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine?
1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethyl-N-(2-methoxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 102697177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).