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

C14H30N2O — CID 81059608

IUPAC1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine
SMILESCCOCCN(C)C1(CN)CCCCC1(C)C
InChIInChI=1S/C14H30N2O/c1-5-17-11-10-16(4)14(12-15)9-7-6-8-13(14,2)3/h5-12,15H2,1-4H3
InChIKeyDBTMZBNKPLUQQM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds6

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

1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 81059608) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine
PubChem CID81059608
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine
SMILESCCOCCN(C)C1(CN)CCCCC1(C)C
InChIInChI=1S/C14H30N2O/c1-5-17-11-10-16(4)14(12-15)9-7-6-8-13(14,2)3/h5-12,15H2,1-4H3
InChIKeyDBTMZBNKPLUQQM-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
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,2,2-trimethyl-N-(2-methylbutyl)cyclopentan-1-amine
CID 79858006
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 79836995
3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine
CID 81059404
1-(aminomethyl)-N,N-bis(2-ethoxyethyl)cyclobutan-1-amine
CID 82965666
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2-dimethylcyclopentan-1-amine
CID 81059701
1-(aminomethyl)-N-(cyclobutylmethyl)-N,2,2-trimethylcyclopentan-1-amine
CID 79857351
4-(aminomethyl)-N-(2-ethoxyethyl)-N-methyloxan-4-amine
CID 81059601
1-(aminomethyl)-N-cyclopropyl-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836655
2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243143
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82954753
1-(aminomethyl)-N-ethyl-2,2-dimethyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 79836992

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine (CID 81059608) is 1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine is CCOCCN(C)C1(CN)CCCCC1(C)C.
What is the InChIKey of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is DBTMZBNKPLUQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-17-11-10-16(4)14(12-15)9-7-6-8-13(14,2)3/h5-12,15H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 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-ethoxyethyl)-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81059608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).