3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide

C12H26N2O — CID 115155075

IUPAC3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
SMILESCC(C)CCCN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C12H26N2O/c1-10(2)7-6-8-14(5)11(15)9-12(3,4)13/h10H,6-9,13H2,1-5H3
InChIKeyNSBJBVBDQVRIIZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds6

About 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide

3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide (PubChem CID 115155075) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide.

Molecular Properties

Compound Name3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
PubChem CID115155075
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
SMILESCC(C)CCCN(C)C(=O)CC(C)(C)N
InChIInChI=1S/C12H26N2O/c1-10(2)7-6-8-14(5)11(15)9-12(3,4)13/h10H,6-9,13H2,1-5H3
InChIKeyNSBJBVBDQVRIIZ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
CID 115167449
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
3-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)butanamide
CID 112658917
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate
CID 115128915
1-N,2-dimethyl-1-N-(4-methylpentyl)propane-1,2-diamine
CID 115136225
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 64685273
N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
CID 118260688
methyl 2,2-dimethyl-3-[methyl(4-methylpentyl)amino]-3-oxopropanoate
CID 115174897
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbutanamide
CID 64678232

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide?
The IUPAC name of 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide (CID 115155075) is 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide.
What is the SMILES notation for 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide?
The canonical SMILES for 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide is CC(C)CCCN(C)C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide?
The InChIKey is NSBJBVBDQVRIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)7-6-8-14(5)11(15)9-12(3,4)13/h10H,6-9,13H2,1-5H3.
What are the key properties of 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide?
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide has a molecular weight of 214.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide is sourced from PubChem (CID 115155075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).