2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine

C16H34N2O — CID 55001186

IUPAC2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(CCOC)C(C)CC)C1
InChIInChI=1S/C16H34N2O/c1-5-13(3)18(9-10-19-4)16-11-14(6-2)7-8-15(16)12-17/h13-16H,5-12,17H2,1-4H3
InChIKeyUOSUOKQGDQRFGI-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds8

About 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine

2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine (PubChem CID 55001186) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
PubChem CID55001186
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)C(N(CCOC)C(C)CC)C1
InChIInChI=1S/C16H34N2O/c1-5-13(3)18(9-10-19-4)16-11-14(6-2)7-8-15(16)12-17/h13-16H,5-12,17H2,1-4H3
InChIKeyUOSUOKQGDQRFGI-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
2-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)cyclopentan-1-amine
CID 55000765
2-(aminomethyl)-N-(2-methoxyethyl)-5-(2-methylbutan-2-yl)-N-propan-2-ylcyclohexan-1-amine
CID 82939923
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-N,4-diethyl-2-N-(1-methoxypropan-2-yl)cyclohexane-1,2-diamine
CID 55011662
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylcyclopentan-1-amine
CID 82948083
2-(aminomethyl)-N-cyclopropyl-5-ethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 55002153
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile
CID 55000052
2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 55000005
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine (CID 55001186) is 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine is CCC1CCC(CN)C(N(CCOC)C(C)CC)C1.
What is the InChIKey of 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine?
The InChIKey is UOSUOKQGDQRFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-13(3)18(9-10-19-4)16-11-14(6-2)7-8-15(16)12-17/h13-16H,5-12,17H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine?
2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine is sourced from PubChem (CID 55001186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).