1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine

C16H34N2O — CID 81320666

IUPAC1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine
SMILESCCOCCN(CC)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H34N2O/c1-6-18(10-11-19-7-2)16(13-17)9-8-15(4,5)12-14(16)3/h14H,6-13,17H2,1-5H3
InChIKeyWNURHEMCDJPSFY-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.89
Rot. Bonds7

About 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81320666) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81320666
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine
SMILESCCOCCN(CC)C1(CN)CCC(C)(C)CC1C
InChIInChI=1S/C16H34N2O/c1-6-18(10-11-19-7-2)16(13-17)9-8-15(4,5)12-14(16)3/h14H,6-13,17H2,1-5H3
InChIKeyWNURHEMCDJPSFY-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

1-(aminomethyl)-N,N-dibutyl-2,4,4-trimethylcyclohexan-1-amine
CID 81321456
1-(aminomethyl)-N-ethyl-N-(1-methoxypropan-2-yl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321382
1-(aminomethyl)-2,4,4-trimethyl-N-propan-2-yl-N-propylcyclohexan-1-amine
CID 81320581
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 65044888
1-(aminomethyl)-N-(2-methoxyethyl)-2,4,4-trimethyl-N-propan-2-ylcyclohexan-1-amine
CID 82949049
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 62007118
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylcyclopentan-1-amine
CID 81059701
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-3-propan-2-ylcyclobutan-1-amine
CID 103562916
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine
CID 63697360
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
CID 82965666
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82954753
ethyl 2-[1-(dimethylamino)-2,4,4-trimethylcyclohexyl]acetate
CID 81315503

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine (CID 81320666) is 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine is CCOCCN(CC)C1(CN)CCC(C)(C)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is WNURHEMCDJPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-18(10-11-19-7-2)16(13-17)9-8-15(4,5)12-14(16)3/h14H,6-13,17H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81320666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).