N-(3-aminopropyl)-3-(cyclopropylamino)propanamide

C9H19N3O — CID 61275861

IUPACN-(3-aminopropyl)-3-(cyclopropylamino)propanamide
SMILESNCCCNC(=O)CCNC1CC1
InChIInChI=1S/C9H19N3O/c10-5-1-6-12-9(13)4-7-11-8-2-3-8/h8,11H,1-7,10H2,(H,12,13)
InChIKeyQWRXVPMVPUWAIU-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.41
Rot. Bonds7

About N-(3-aminopropyl)-3-(cyclopropylamino)propanamide

N-(3-aminopropyl)-3-(cyclopropylamino)propanamide (PubChem CID 61275861) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(cyclopropylamino)propanamide
PubChem CID61275861
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-(3-aminopropyl)-3-(cyclopropylamino)propanamide
SMILESNCCCNC(=O)CCNC1CC1
InChIInChI=1S/C9H19N3O/c10-5-1-6-12-9(13)4-7-11-8-2-3-8/h8,11H,1-7,10H2,(H,12,13)
InChIKeyQWRXVPMVPUWAIU-UHFFFAOYSA-N
XLogP-0.41
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.41
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

3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]butanamide
CID 79401523
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N'-cyclopropylpropane-1,3-diamine
CID 44784906
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
3-(cyclopropylamino)-N-[2-[ethyl(methyl)amino]ethyl]propanamide
CID 62640423
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(cyclopropylamino)propanamide?
The IUPAC name of N-(3-aminopropyl)-3-(cyclopropylamino)propanamide (CID 61275861) is N-(3-aminopropyl)-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(cyclopropylamino)propanamide is NCCCNC(=O)CCNC1CC1.
What is the InChIKey of N-(3-aminopropyl)-3-(cyclopropylamino)propanamide?
The InChIKey is QWRXVPMVPUWAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-5-1-6-12-9(13)4-7-11-8-2-3-8/h8,11H,1-7,10H2,(H,12,13).
What are the key properties of N-(3-aminopropyl)-3-(cyclopropylamino)propanamide?
N-(3-aminopropyl)-3-(cyclopropylamino)propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 61275861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).