1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine

C16H34N2O — CID 82949049

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCOCCN(C(C)C)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H34N2O/c1-13(2)18(9-10-19-6)16(12-17)8-7-15(4,5)11-14(16)3/h13-14H,7-12,17H2,1-6H3
InChIKeyGCWZTTAUWSDTPM-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds6

About 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 82949049) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID82949049
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine
SMILESCOCCN(C(C)C)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H34N2O/c1-13(2)18(9-10-19-6)16(12-17)8-7-15(4,5)11-14(16)3/h13-14H,7-12,17H2,1-6H3
InChIKeyGCWZTTAUWSDTPM-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

1-(aminomethyl)-2,4,4-trimethyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 81320581
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321382
1-(aminomethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-methylcyclopentan-1-amine
CID 65044842
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine
CID 81320666
1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
CID 81321456
1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320431
1-(aminomethyl)-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 64761340
3-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-yloxolan-3-amine
CID 82948464
1-(aminomethyl)-N-butan-2-yl-N-butyl-2,4,4-trimethylcyclopentan-1-amine
CID 106663071
3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine
CID 82948380
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 65044888

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine (CID 82949049) is 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine is COCCN(C(C)C)C1(CN)CCC(C)(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is GCWZTTAUWSDTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)18(9-10-19-6)16(12-17)8-7-15(4,5)11-14(16)3/h13-14H,7-12,17H2,1-6H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 82949049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).