4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide

C12H26N2O — CID 81086981

IUPAC4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
SMILESCC(C)CC(C)N(C)C(=O)CC(C)CN
InChIInChI=1S/C12H26N2O/c1-9(2)6-11(4)14(5)12(15)7-10(3)8-13/h9-11H,6-8,13H2,1-5H3
InChIKeyFBXKHENLASFKEK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.86
Rot. Bonds6

About 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide

4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide (PubChem CID 81086981) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
PubChem CID81086981
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
SMILESCC(C)CC(C)N(C)C(=O)CC(C)CN
InChIInChI=1S/C12H26N2O/c1-9(2)6-11(4)14(5)12(15)7-10(3)8-13/h9-11H,6-8,13H2,1-5H3
InChIKeyFBXKHENLASFKEK-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-butan-2-yl-N,3-dimethylbutanamide
CID 81072119
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
CID 93344235
4-amino-3-methyl-N,N-dipropylbutanamide
CID 81070980
5-amino-N-methyl-N-(4-methylpentan-2-yl)hexanamide
CID 82852575
4-amino-N,3-dimethyl-N-(1-phenylethyl)butanamide
CID 81087355
3-(aminomethyl)-N-butan-2-yl-N-methylpentanamide
CID 81072118
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541
N-(1-aminopropan-2-yl)-N,3,4,4-tetramethylpentanamide
CID 115737332
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 104677794
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863
2-amino-N-methyl-N-(4-methylpentan-2-yl)butanediamide
CID 60939070

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide (CID 81086981) is 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide is CC(C)CC(C)N(C)C(=O)CC(C)CN.
What is the InChIKey of 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide?
The InChIKey is FBXKHENLASFKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)6-11(4)14(5)12(15)7-10(3)8-13/h9-11H,6-8,13H2,1-5H3.
What are the key properties of 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide?
4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide has a molecular weight of 214.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-(4-methylpentan-2-yl)butanamide is sourced from PubChem (CID 81086981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).