2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide

C10H22N2O — CID 62664546

IUPAC2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
SMILESCCC(C)C(=O)NCCNC(C)C
InChIInChI=1S/C10H22N2O/c1-5-9(4)10(13)12-7-6-11-8(2)3/h8-9,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyQRGSBIXTBAQCGS-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.15
Rot. Bonds6

About 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide

2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide (PubChem CID 62664546) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
PubChem CID62664546
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
SMILESCCC(C)C(=O)NCCNC(C)C
InChIInChI=1S/C10H22N2O/c1-5-9(4)10(13)12-7-6-11-8(2)3/h8-9,11H,5-7H2,1-4H3,(H,12,13)
InChIKeyQRGSBIXTBAQCGS-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide 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

2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
ethane;N-ethyl-2-methylbutanamide
CID 145471862
N-(3-bromobutyl)-2-methylbutanamide
CID 114312674
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
N-(5-chloropentyl)-2-methylbutanamide
CID 107321428
N-(6-chlorohexyl)-2-methylbutanamide
CID 107846649
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
(2S)-2-hydroxy-4-(2-methylbutanoylamino)butanoic acid
CID 107834276
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
CID 166111944
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide (CID 62664546) is 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide is CCC(C)C(=O)NCCNC(C)C.
What is the InChIKey of 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide?
The InChIKey is QRGSBIXTBAQCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-9(4)10(13)12-7-6-11-8(2)3/h8-9,11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide?
2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide has a molecular weight of 186.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide is sourced from PubChem (CID 62664546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).