3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide

C10H22N2O — CID 106328381

IUPAC3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CC)NC(=O)C(C)CN
InChIInChI=1S/C10H22N2O/c1-5-10(4,6-2)12-9(13)8(3)7-11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyXVFLMILWHJFSTN-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.28
Rot. Bonds5

About 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide

3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide (PubChem CID 106328381) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
PubChem CID106328381
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CC)NC(=O)C(C)CN
InChIInChI=1S/C10H22N2O/c1-5-10(4,6-2)12-9(13)8(3)7-11/h8H,5-7,11H2,1-4H3,(H,12,13)
InChIKeyXVFLMILWHJFSTN-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(aminomethyl)-N-tert-butylbutanamide
CID 57301521
3-amino-N-(2,4-dimethylpentan-2-yl)propanamide
CID 57700638
3-(tert-butylamino)-N-[3-(tert-butylamino)propyl]propanamide
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3-(tert-butylamino)-N-propylpropanamide
CID 60850029
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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide (CID 106328381) is 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide is CCC(C)(CC)NC(=O)C(C)CN.
What is the InChIKey of 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide?
The InChIKey is XVFLMILWHJFSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-10(4,6-2)12-9(13)8(3)7-11/h8H,5-7,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide?
3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide has a molecular weight of 186.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide is sourced from PubChem (CID 106328381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).