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

C12H26N2O — CID 106164528

IUPACN-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC(C)(CC)CCN
InChIInChI=1S/C12H26N2O/c1-5-7-10(3)11(15)14-12(4,6-2)8-9-13/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyRKGKBSMIPOJRPU-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.06
Rot. Bonds7

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

N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide (PubChem CID 106164528) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
PubChem CID106164528
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC(C)(CC)CCN
InChIInChI=1S/C12H26N2O/c1-5-7-10(3)11(15)14-12(4,6-2)8-9-13/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyRKGKBSMIPOJRPU-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328547
3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
CID 106328381
N-(1-amino-3-methylpentan-3-yl)-2-cyclopropylpropanamide
CID 106164689
4-(2-aminoethyl)-N-(1-hydroxy-3-methylpentan-3-yl)heptanamide
CID 106176097
(2S)-2-amino-N-(3-methylpentan-3-yl)pentanamide
CID 106328652
2-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43619107
(2S)-5-amino-2-methyl-N-(2-methylbutan-2-yl)pentanamide
CID 143373195
N-(5-amino-2,2-dimethylpentyl)-2-methylpentanamide
CID 106140775
2-amino-N-(3-methylpentan-3-yl)pentanamide;hydrochloride
CID 119324973
N-(1-amino-3-methylpentan-3-yl)nonanamide
CID 106164392
2,2,3-trimethyl-3-(2-methylpentanoylamino)butanoic acid
CID 65261594
2-methylpentanehydrazide
CID 43183484

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide?
The IUPAC name of N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide (CID 106164528) is N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide.
What is the SMILES notation for N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide?
The canonical SMILES for N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide is CCCC(C)C(=O)NC(C)(CC)CCN.
What is the InChIKey of N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide?
The InChIKey is RKGKBSMIPOJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-7-10(3)11(15)14-12(4,6-2)8-9-13/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide?
N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide has a molecular weight of 214.35 g/mol, XLogP of 2.06, 7 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-methylpentanamide is sourced from PubChem (CID 106164528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).