2-(3-aminopropylamino)-N-cyclopropylacetamide

C8H17N3O — CID 62274184

IUPAC2-(3-aminopropylamino)-N-cyclopropylacetamide
SMILESNCCCNCC(=O)NC1CC1
InChIInChI=1S/C8H17N3O/c9-4-1-5-10-6-8(12)11-7-2-3-7/h7,10H,1-6,9H2,(H,11,12)
InChIKeySMOXGQVKSAXGON-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.80
Rot. Bonds6

About 2-(3-aminopropylamino)-N-cyclopropylacetamide

2-(3-aminopropylamino)-N-cyclopropylacetamide (PubChem CID 62274184) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-N-cyclopropylacetamide
PubChem CID62274184
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(3-aminopropylamino)-N-cyclopropylacetamide
SMILESNCCCNCC(=O)NC1CC1
InChIInChI=1S/C8H17N3O/c9-4-1-5-10-6-8(12)11-7-2-3-7/h7,10H,1-6,9H2,(H,11,12)
InChIKeySMOXGQVKSAXGON-UHFFFAOYSA-N
XLogP-0.80
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.80
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

4-[[2-(cyclopropylamino)-2-oxoethyl]amino]butanoic acid
CID 43473310
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
CID 43466674
N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetic acid
CID 43466149
N-cyclopropyl-2-(3-hydroxybutylamino)acetamide
CID 64912481
N-cyclopropyl-2-(2-methylsulfonylethylamino)acetamide
CID 60915783
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
2-[2-(2-amino-2-oxoethoxy)ethylamino]-N-cyclopropylacetamide
CID 106237778
N-cyclopentyl-2-(4,4,4-trifluorobutylamino)acetamide
CID 113327343
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-aminopropylamino)-N-cyclopropylacetamide (CID 62274184) is 2-(3-aminopropylamino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-aminopropylamino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-aminopropylamino)-N-cyclopropylacetamide is NCCCNCC(=O)NC1CC1.
What is the InChIKey of 2-(3-aminopropylamino)-N-cyclopropylacetamide?
The InChIKey is SMOXGQVKSAXGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-4-1-5-10-6-8(12)11-7-2-3-7/h7,10H,1-6,9H2,(H,11,12).
What are the key properties of 2-(3-aminopropylamino)-N-cyclopropylacetamide?
2-(3-aminopropylamino)-N-cyclopropylacetamide has a molecular weight of 171.24 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-N-cyclopropylacetamide is sourced from PubChem (CID 62274184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).