2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide

C15H30N2O — CID 114290836

IUPAC2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
SMILESCCC(C)(CN)C(=O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O/c1-6-15(4,11-16)13(18)17(5)12-7-9-14(2,3)10-8-12/h12H,6-11,16H2,1-5H3
InChIKeyPWXYLYAJAZQURF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds4

About 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide

2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide (PubChem CID 114290836) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
PubChem CID114290836
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide
SMILESCCC(C)(CN)C(=O)N(C)C1CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O/c1-6-15(4,11-16)13(18)17(5)12-7-9-14(2,3)10-8-12/h12H,6-11,16H2,1-5H3
InChIKeyPWXYLYAJAZQURF-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-cyclohexyl-N-ethyl-2-methylbutanamide
CID 114290173
2-(aminomethyl)-N-cyclopropyl-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 114290544
2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 102861281
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide
CID 114948724
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,2,2-trimethylbutanamide
CID 79111756
2-(aminomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 102861246
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbutanamide
CID 114290733
(2R)-2-amino-N-(4,4-dimethylcyclohexyl)-N,3,3-trimethylbutanamide
CID 113353538
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]-N,2-dimethylbutanamide
CID 114290798
2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide
CID 113270028
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylbutanamide
CID 114290664
2-carbamothioyl-N,2-dimethyl-N-(oxan-4-yl)butanamide
CID 113270518

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide (CID 114290836) is 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide is CCC(C)(CN)C(=O)N(C)C1CCC(C)(C)CC1.
What is the InChIKey of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide?
The InChIKey is PWXYLYAJAZQURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-15(4,11-16)13(18)17(5)12-7-9-14(2,3)10-8-12/h12H,6-11,16H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide?
2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide has a molecular weight of 254.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 114290836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).