3-(3-methylpentan-2-ylamino)propanamide

C9H20N2O — CID 43553184

IUPAC3-(3-methylpentan-2-ylamino)propanamide
SMILESCCC(C)C(C)NCCC(N)=O
InChIInChI=1S/C9H20N2O/c1-4-7(2)8(3)11-6-5-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyRUTOJTUFBBHVRQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.89
Rot. Bonds6

About 3-(3-methylpentan-2-ylamino)propanamide

3-(3-methylpentan-2-ylamino)propanamide (PubChem CID 43553184) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-(3-methylpentan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(3-methylpentan-2-ylamino)propanamide
PubChem CID43553184
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-(3-methylpentan-2-ylamino)propanamide
SMILESCCC(C)C(C)NCCC(N)=O
InChIInChI=1S/C9H20N2O/c1-4-7(2)8(3)11-6-5-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12)
InChIKeyRUTOJTUFBBHVRQ-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(3-methylpentan-2-ylamino)propanoate
CID 43139672
3-(1,1-difluoropropan-2-ylamino)propanamide
CID 102868267
N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489
3-(propan-2-ylamino)propanamide
CID 18768059
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
3-(1-hydroxybutan-2-ylamino)propanamide
CID 43389836
3-(3-methylpentan-2-ylamino)-N-prop-2-ynylpropanamide
CID 115714965
5-(1,1-dimethoxypropan-2-ylamino)pentanamide
CID 106234795
3-(heptan-3-ylamino)propanamide
CID 63944906
3-(5-methylhexan-2-ylamino)propanamide
CID 43398450
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
N-butyl-3-methylpentan-2-amine
CID 43200990

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-2-ylamino)propanamide?
The IUPAC name of 3-(3-methylpentan-2-ylamino)propanamide (CID 43553184) is 3-(3-methylpentan-2-ylamino)propanamide.
What is the SMILES notation for 3-(3-methylpentan-2-ylamino)propanamide?
The canonical SMILES for 3-(3-methylpentan-2-ylamino)propanamide is CCC(C)C(C)NCCC(N)=O.
What is the InChIKey of 3-(3-methylpentan-2-ylamino)propanamide?
The InChIKey is RUTOJTUFBBHVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-7(2)8(3)11-6-5-9(10)12/h7-8,11H,4-6H2,1-3H3,(H2,10,12).
What are the key properties of 3-(3-methylpentan-2-ylamino)propanamide?
3-(3-methylpentan-2-ylamino)propanamide has a molecular weight of 172.27 g/mol, XLogP of 0.89, 6 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)propanamide is sourced from PubChem (CID 43553184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).