N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide

C15H30N2O — CID 106124369

IUPACN-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC1CCC(N)CC1)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-11(15(2,3)4)9-14(18)17-10-12-5-7-13(16)8-6-12/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyNRIUZKQYVIOKKV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide

N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide (PubChem CID 106124369) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
PubChem CID106124369
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC1CCC(N)CC1)C(C)(C)C
InChIInChI=1S/C15H30N2O/c1-11(15(2,3)4)9-14(18)17-10-12-5-7-13(16)8-6-12/h11-13H,5-10,16H2,1-4H3,(H,17,18)
InChIKeyNRIUZKQYVIOKKV-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
CID 165448067
N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide
CID 66006223
N-(4-aminocyclohexyl)-N,3,4,4-tetramethylpentanamide
CID 79121294
N-[(4-aminocyclohexyl)methyl]-4-methoxypentanamide
CID 106124719
N-[(4-chlorocyclohexyl)methyl]-3-methylbutanamide
CID 106133604
N-cyclopropyl-3,4,4-trimethylpentanamide
CID 63820853
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716
3-amino-3-cyclopropyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141491
2-(4-aminocyclohexyl)-N-(cyclopentylmethyl)acetamide
CID 62782345
N-[(4-aminocyclohexyl)methyl]-3-cyclohexylpropanamide
CID 106124035
2-(4-aminocyclohexyl)-N-(3,3-dimethylbutan-2-yl)acetamide
CID 104830066

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide (CID 106124369) is N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide is CC(CC(=O)NCC1CCC(N)CC1)C(C)(C)C.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide?
The InChIKey is NRIUZKQYVIOKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11(15(2,3)4)9-14(18)17-10-12-5-7-13(16)8-6-12/h11-13H,5-10,16H2,1-4H3,(H,17,18).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide?
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 106124369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).