2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C17H34N2O — CID 61431167

IUPAC2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCO1)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H34N2O/c1-17(2,3)14-8-7-13(11-18)16(10-14)19(4)12-15-6-5-9-20-15/h13-16H,5-12,18H2,1-4H3
InChIKeyVNKCUDSSGAJTNB-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.89
Rot. Bonds4

About 2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 61431167) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID61431167
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCN(CC1CCCO1)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H34N2O/c1-17(2,3)14-8-7-13(11-18)16(10-14)19(4)12-15-6-5-9-20-15/h13-16H,5-12,18H2,1-4H3
InChIKeyVNKCUDSSGAJTNB-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.89
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-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 61431167) is 2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CN(CC1CCCO1)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of 2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is VNKCUDSSGAJTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-17(2,3)14-8-7-13(11-18)16(10-14)19(4)12-15-6-5-9-20-15/h13-16H,5-12,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2-(aminomethyl)-5-tert-butyl-N-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.89, 4 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-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61431167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).