3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide

C12H22N2O — CID 115714965

IUPAC3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCNC(C)C(C)CC
InChIInChI=1S/C12H22N2O/c1-5-8-14-12(15)7-9-13-11(4)10(3)6-2/h1,10-11,13H,6-9H2,2-4H3,(H,14,15)
InChIKeyPZPSFFAJNHCFCG-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.15
Rot. Bonds7

About 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide

3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide (PubChem CID 115714965) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide
PubChem CID115714965
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)CCNC(C)C(C)CC
InChIInChI=1S/C12H22N2O/c1-5-8-14-12(15)7-9-13-11(4)10(3)6-2/h1,10-11,13H,6-9H2,2-4H3,(H,14,15)
InChIKeyPZPSFFAJNHCFCG-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
3-(3-methylpentan-2-ylamino)propanamide
CID 43553184
N-propyl-N'-prop-2-ynylbutanediamide
CID 163636488
N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489
4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pentanamide
CID 49396489
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
4-oxo-N-prop-2-ynylpentanamide
CID 60646238
methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
CID 158389434
2-butan-2-ylsulfanyl-N-prop-2-ynylacetamide
CID 78911792
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine
CID 103902534
3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide
CID 102869439

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide?
The IUPAC name of 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide (CID 115714965) is 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide is C#CCNC(=O)CCNC(C)C(C)CC.
What is the InChIKey of 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide?
The InChIKey is PZPSFFAJNHCFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-8-14-12(15)7-9-13-11(4)10(3)6-2/h1,10-11,13H,6-9H2,2-4H3,(H,14,15).
What are the key properties of 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide?
3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide has a molecular weight of 210.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide is sourced from PubChem (CID 115714965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).