N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide

C12H25N3O — CID 122080607

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide
SMILESCC(C)CC(CN)NC(=O)CNCC1CC1
InChIInChI=1S/C12H25N3O/c1-9(2)5-11(6-13)15-12(16)8-14-7-10-3-4-10/h9-11,14H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyGRQRMKTWHWBDKN-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.48
Rot. Bonds8

About N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 122080607) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide
PubChem CID122080607
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide
SMILESCC(C)CC(CN)NC(=O)CNCC1CC1
InChIInChI=1S/C12H25N3O/c1-9(2)5-11(6-13)15-12(16)8-14-7-10-3-4-10/h9-11,14H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyGRQRMKTWHWBDKN-UHFFFAOYSA-N
XLogP0.48
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide 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-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119588691
N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080965
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
2-(cyclopropylmethylamino)-N-(1-hydroxypropan-2-yl)acetamide
CID 60841587
N-(1-amino-4-methylpentan-2-yl)-4-cyclopentylbutanamide;hydrochloride
CID 119588873
2-(4-aminocyclohexyl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 62782742
N-(1-aminobutan-2-yl)-2-cyclopropylacetamide
CID 63755358
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-(1-amino-4-methylpentan-2-yl)-2-tert-butylsulfanylacetamide
CID 63888731
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890
2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 106133186

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide (CID 122080607) is N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide is CC(C)CC(CN)NC(=O)CNCC1CC1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is GRQRMKTWHWBDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)5-11(6-13)15-12(16)8-14-7-10-3-4-10/h9-11,14H,3-8,13H2,1-2H3,(H,15,16).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 122080607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).