N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide

C12H24N2O — CID 106164689

IUPACN-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide
SMILESCCC(C)(CCN)NC(=O)C(C)C1CC1
InChIInChI=1S/C12H24N2O/c1-4-12(3,7-8-13)14-11(15)9(2)10-5-6-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyKTGFRTVJPAQIHK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.67
Rot. Bonds6

About N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide

N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide (PubChem CID 106164689) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide
PubChem CID106164689
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide
SMILESCCC(C)(CCN)NC(=O)C(C)C1CC1
InChIInChI=1S/C12H24N2O/c1-4-12(3,7-8-13)14-11(15)9(2)10-5-6-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyKTGFRTVJPAQIHK-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylpropanamide
CID 81479173
N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
CID 106164528
N-(1-amino-2-cyclopropylpropan-2-yl)-2-cyclopropylpropanamide;hydrochloride
CID 119573506
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-cyclopropylpropanamide
CID 83154806
4-amino-2-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328547
3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
CID 106328381
2-methyl-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120686254
2-cyclopropyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82760561
N-(1-amino-2,4-dimethylpentan-2-yl)-2,2-dicyclopropylacetamide
CID 112745073
N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
CID 106164437
N-(1-amino-3-methylpentan-3-yl)-2-methyloxolane-3-carboxamide
CID 106164187
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide (CID 106164689) is N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide is CCC(C)(CCN)NC(=O)C(C)C1CC1.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide?
The InChIKey is KTGFRTVJPAQIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(3,7-8-13)14-11(15)9(2)10-5-6-10/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide?
N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 106164689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).