4-amino-N-methyl-N-(2-methylpropyl)butanamide

C9H20N2O — CID 43272157

IUPAC4-amino-N-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(C)C(=O)CCCN
InChIInChI=1S/C9H20N2O/c1-8(2)7-11(3)9(12)5-4-6-10/h8H,4-7,10H2,1-3H3
InChIKeyJVMPFJFPZGUZGT-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.84
Rot. Bonds5

About 4-amino-N-methyl-N-(2-methylpropyl)butanamide

4-amino-N-methyl-N-(2-methylpropyl)butanamide (PubChem CID 43272157) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-methylpropyl)butanamide
PubChem CID43272157
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-amino-N-methyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(C)C(=O)CCCN
InChIInChI=1S/C9H20N2O/c1-8(2)7-11(3)9(12)5-4-6-10/h8H,4-7,10H2,1-3H3
InChIKeyJVMPFJFPZGUZGT-UHFFFAOYSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-methyl-N-(2-methylpropyl)heptanamide
CID 43272143
N,5-dimethyl-N-(2-methylpropyl)hexanamide
CID 147805766
N,17-dimethyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 169316878
N,11-dimethyl-N-(2-methylpropyl)-10-oxododecanamide
CID 166695144
N-methyl-N-(2-methylpropyl)-16-oxooctadecanamide
CID 156819631
4-amino-N-ethyl-N-methylbutanamide;hydrochloride
CID 173105098
N-methyl-N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 165153495
4-(ethylamino)-N-methyl-N-(2-methylpropyl)butanamide
CID 155599481
N-methyl-N-(2-methylpropyl)-5-propan-2-yloxypentanamide
CID 164715578
5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
CID 103812823
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-amino-N-methyl-N-(2-methylpropyl)butanamide (CID 43272157) is 4-amino-N-methyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-methylpropyl)butanamide is CC(C)CN(C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-methyl-N-(2-methylpropyl)butanamide?
The InChIKey is JVMPFJFPZGUZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)7-11(3)9(12)5-4-6-10/h8H,4-7,10H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-(2-methylpropyl)butanamide?
4-amino-N-methyl-N-(2-methylpropyl)butanamide has a molecular weight of 172.27 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 43272157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).