N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide

C12H26N2O — CID 106356781

IUPACN-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(CCN)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-12(4,5)11(15)14-10(7-8-13)9(2)3/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyQWHUPLXCXHWRDJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds6

About N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide

N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide (PubChem CID 106356781) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
PubChem CID106356781
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(CCN)C(C)C
InChIInChI=1S/C12H26N2O/c1-6-12(4,5)11(15)14-10(7-8-13)9(2)3/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyQWHUPLXCXHWRDJ-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-2,2-dimethylbutanamide
CID 63733019
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
N-(1-amino-4-methylpentan-3-yl)-2-methylbutanamide
CID 106356922
N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106356684
N-(1-hydroxypropan-2-yl)-2,2-dimethylbutanamide
CID 62677681
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)butanamide
CID 131998274
N-(aminomethyl)-2,2-dimethylbutanamide
CID 20688200
N-(2,7,7-trimethyloctan-3-yl)acetamide
CID 144535595
N-(1-ethylsulfonylpropan-2-yl)-2,2-dimethylbutanamide
CID 71931421
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
CID 106350117
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
CID 106140383

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide (CID 106356781) is N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(CCN)C(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide?
The InChIKey is QWHUPLXCXHWRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-12(4,5)11(15)14-10(7-8-13)9(2)3/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide?
N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-3-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 106356781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).