(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride

C8H20ClN3O — CID 171647987

IUPAC(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](NCCCN)C(N)=O.Cl
InChIInChI=1S/C8H19N3O.ClH/c1-6(2)7(8(10)12)11-5-3-4-9;/h6-7,11H,3-5,9H2,1-2H3,(H2,10,12);1H/t7-;/m0./s1
InChIKeyDIGQOGWSQXJVKM-FJXQXJEOSA-N
MW209.72 g/mol
LogP-0.14
Rot. Bonds6

About (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride

(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride (PubChem CID 171647987) has the molecular formula C8H20ClN3O and a molecular weight of 209.72 g/mol. Its IUPAC name is (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
PubChem CID171647987
Molecular FormulaC8H20ClN3O
Molecular Weight209.72 g/mol
Exact Mass209.13
IUPAC Name(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
SMILESCC(C)[C@H](NCCCN)C(N)=O.Cl
InChIInChI=1S/C8H19N3O.ClH/c1-6(2)7(8(10)12)11-5-3-4-9;/h6-7,11H,3-5,9H2,1-2H3,(H2,10,12);1H/t7-;/m0./s1
InChIKeyDIGQOGWSQXJVKM-FJXQXJEOSA-N
XLogP-0.14
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
3-methyl-2-(pentylamino)butanamide
CID 103914102
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
(2S)-2-(2-aminoethylamino)-N-[4-[[(2S)-2-(2-aminoethylamino)-3-methylbutanoyl]amino]butyl]-3-methylbutanamide
CID 101373817
2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
CID 103914269
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
carbamoyl 2-[7-[(1-carbamoyloxy-3-methyl-1-oxobutan-2-yl)amino]heptylamino]-3-methylbutanoate
CID 123513496
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
CID 106344756
2-[(3-cyano-3-methylbutyl)amino]-3-methylbutanamide
CID 103925507
3-methyl-2-(propanoylamino)butanamide
CID 22574980

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride (CID 171647987) is (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride is CC(C)[C@H](NCCCN)C(N)=O.Cl.
What is the InChIKey of (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride?
The InChIKey is DIGQOGWSQXJVKM-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H19N3O.ClH/c1-6(2)7(8(10)12)11-5-3-4-9;/h6-7,11H,3-5,9H2,1-2H3,(H2,10,12);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride?
(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of -0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 171647987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).