2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide

C12H27N3O — CID 64711535

IUPAC2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide
SMILESCC(C)C(C)N(C)C(C)CC(C)(N)C(N)=O
InChIInChI=1S/C12H27N3O/c1-8(2)10(4)15(6)9(3)7-12(5,14)11(13)16/h8-10H,7,14H2,1-6H3,(H2,13,16)
InChIKeyMQVOJXGCJAXLTQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.94
Rot. Bonds6

About 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide

2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide (PubChem CID 64711535) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide
PubChem CID64711535
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide
SMILESCC(C)C(C)N(C)C(C)CC(C)(N)C(N)=O
InChIInChI=1S/C12H27N3O/c1-8(2)10(4)15(6)9(3)7-12(5,14)11(13)16/h8-10H,7,14H2,1-6H3,(H2,13,16)
InChIKeyMQVOJXGCJAXLTQ-UHFFFAOYSA-N
XLogP0.94
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methylpentanamide
CID 64710434
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanamide
CID 81061651
2-amino-2-methyl-4-[methyl-(2-methylcyclohexyl)amino]pentanamide
CID 64711459
methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709198
2-amino-2-methyl-4-[methyl-(3-methylcyclohexyl)amino]pentanamide
CID 64709478
2-amino-4-[cyclohexyl(ethyl)amino]-2-methylpentanamide
CID 64725354
2-amino-2-methyl-4-pyrrolidin-1-ylpentanamide
CID 64726767
2-(15N)azanyl-2-methylbutanamide
CID 10844374
2-amino-4-[cyclopropylmethyl(propyl)amino]-2-methylpentanamide
CID 64711426
methyl 2-amino-2-methyl-4-[methyl(pentan-2-yl)amino]pentanoate
CID 64710385

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide?
The IUPAC name of 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide (CID 64711535) is 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide is CC(C)C(C)N(C)C(C)CC(C)(N)C(N)=O.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide?
The InChIKey is MQVOJXGCJAXLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-8(2)10(4)15(6)9(3)7-12(5,14)11(13)16/h8-10H,7,14H2,1-6H3,(H2,13,16).
What are the key properties of 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide?
2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide has a molecular weight of 229.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanamide is sourced from PubChem (CID 64711535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).