N-(3-aminopropyl)-2-methylpropanamide;hydrochloride

C7H17ClN2O — CID 71757297

IUPACN-(3-aminopropyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)NCCCN.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h6H,3-5,8H2,1-2H3,(H,9,10);1H
InChIKeyXIBCSYCICLWQOM-UHFFFAOYSA-N
MW180.68 g/mol
LogP0.53
Rot. Bonds4

About N-(3-aminopropyl)-2-methylpropanamide;hydrochloride

N-(3-aminopropyl)-2-methylpropanamide;hydrochloride (PubChem CID 71757297) has the molecular formula C7H17ClN2O and a molecular weight of 180.68 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methylpropanamide;hydrochloride
PubChem CID71757297
Molecular FormulaC7H17ClN2O
Molecular Weight180.68 g/mol
Exact Mass180.10
IUPAC NameN-(3-aminopropyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)NCCCN.Cl
InChIInChI=1S/C7H16N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h6H,3-5,8H2,1-2H3,(H,9,10);1H
InChIKeyXIBCSYCICLWQOM-UHFFFAOYSA-N
XLogP0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(3-aminopropylamino)propylamino]propyl]-2-methylpropanamide
CID 154594320
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 154982765
N-(3-aminopropyl)-3-hydroxy-2-methylpropanamide
CID 168915503
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
4-(3-aminopropylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 56942187
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
7-amino-N-[2-(2-methylpropanoylamino)ethyl]heptanamide
CID 61249058
6-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 61247753
N-(aminomethyl)-2-methylpropanamide
CID 88582106
N-[4-(3-aminopropylamino)butyl]-2,2-dihydroxyacetamide;trihydrochloride
CID 135056308
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]-2-methylpropanamide
CID 58260355

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-methylpropanamide;hydrochloride (CID 71757297) is N-(3-aminopropyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-methylpropanamide;hydrochloride is CC(C)C(=O)NCCCN.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-methylpropanamide;hydrochloride?
The InChIKey is XIBCSYCICLWQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.ClH/c1-6(2)7(10)9-5-3-4-8;/h6H,3-5,8H2,1-2H3,(H,9,10);1H.
What are the key properties of N-(3-aminopropyl)-2-methylpropanamide;hydrochloride?
N-(3-aminopropyl)-2-methylpropanamide;hydrochloride has a molecular weight of 180.68 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 71757297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).