2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine

C18H38N2O — CID 63404054

IUPAC2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCOCCN(CC(C)C)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C18H38N2O/c1-14(2)13-20(9-10-21-6)17-11-16(18(3,4)5)8-7-15(17)12-19/h14-17H,7-13,19H2,1-6H3
InChIKeyNOFMLSRCUGVEDR-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.38
Rot. Bonds7

About 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine

2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 63404054) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID63404054
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCOCCN(CC(C)C)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C18H38N2O/c1-14(2)13-20(9-10-21-6)17-11-16(18(3,4)5)8-7-15(17)12-19/h14-17H,7-13,19H2,1-6H3
InChIKeyNOFMLSRCUGVEDR-UHFFFAOYSA-N
XLogP3.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine (CID 63404054) is 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine is COCCN(CC(C)C)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is NOFMLSRCUGVEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-14(2)13-20(9-10-21-6)17-11-16(18(3,4)5)8-7-15(17)12-19/h14-17H,7-13,19H2,1-6H3.
What are the key properties of 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine?
2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 298.51 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-tert-butyl-N-(2-methoxyethyl)-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 63404054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).