(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide

C10H23N3O — CID 106047587

IUPAC(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
SMILESCC(C)N(C)CCCNC(=O)[C@H](C)N
InChIInChI=1S/C10H23N3O/c1-8(2)13(4)7-5-6-12-10(14)9(3)11/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyIGRUQZZSYKAJSI-VIFPVBQESA-N
MW201.31 g/mol
LogP0.18
Rot. Bonds6

About (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide

(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide (PubChem CID 106047587) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
PubChem CID106047587
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
SMILESCC(C)N(C)CCCNC(=O)[C@H](C)N
InChIInChI=1S/C10H23N3O/c1-8(2)13(4)7-5-6-12-10(14)9(3)11/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyIGRUQZZSYKAJSI-VIFPVBQESA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-sulfanylbutanamide
CID 106040675
(2S)-2-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide;hydrochloride
CID 119292329
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
2-carbamothioyl-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114139141
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
(2R)-2-amino-N-[2-(dimethylamino)ethyl]propanamide
CID 40614324
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide
CID 114140198
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732
2-cyano-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106034255
4-amino-5-[4-[methyl(propan-2-yl)amino]butylamino]-5-oxopentanoic acid
CID 64888379

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide (CID 106047587) is (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide is CC(C)N(C)CCCNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
The InChIKey is IGRUQZZSYKAJSI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(2)13(4)7-5-6-12-10(14)9(3)11/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide?
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide has a molecular weight of 201.31 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide is sourced from PubChem (CID 106047587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).