3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide

C12H26N2O — CID 63925891

IUPAC3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
SMILESCC(C)CCC(C)NC(=O)C(C)(C)CN
InChIInChI=1S/C12H26N2O/c1-9(2)6-7-10(3)14-11(15)12(4,5)8-13/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyICJRKXVHRRJKJE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds6

About 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide

3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide (PubChem CID 63925891) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
PubChem CID63925891
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
SMILESCC(C)CCC(C)NC(=O)C(C)(C)CN
InChIInChI=1S/C12H26N2O/c1-9(2)6-7-10(3)14-11(15)12(4,5)8-13/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyICJRKXVHRRJKJE-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide (CID 63925891) is 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide is CC(C)CCC(C)NC(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide?
The InChIKey is ICJRKXVHRRJKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)6-7-10(3)14-11(15)12(4,5)8-13/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide?
3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide 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 3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide is sourced from PubChem (CID 63925891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).