4-(3-aminopropylamino)butanal

C7H16N2O — CID 19913541

IUPAC4-(3-aminopropylamino)butanal
SMILESNCCCNCCCC=O
InChIInChI=1S/C7H16N2O/c8-4-3-6-9-5-1-2-7-10/h7,9H,1-6,8H2
InChIKeyJNZUMEMWAPJNLC-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.10
Rot. Bonds7

About 4-(3-aminopropylamino)butanal

4-(3-aminopropylamino)butanal (PubChem CID 19913541) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-(3-aminopropylamino)butanal.

Molecular Properties

Compound Name4-(3-aminopropylamino)butanal
PubChem CID19913541
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-(3-aminopropylamino)butanal
SMILESNCCCNCCCC=O
InChIInChI=1S/C7H16N2O/c8-4-3-6-9-5-1-2-7-10/h7,9H,1-6,8H2
InChIKeyJNZUMEMWAPJNLC-UHFFFAOYSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
4-aminobutanal;ethane
CID 91518862
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
4-amino-N-(4-oxobutyl)butanamide
CID 123471049
N,N'-bis(3-aminopropyl)butane-1,4-diamine;butanedioic acid
CID 174466716
N'-pent-4-enylbutane-1,4-diamine
CID 89325974
N-(3-aminopropyl)-N-[4-(3-aminopropylamino)butyl]-4-oxobutanamide
CID 167446566

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropylamino)butanal?
The IUPAC name of 4-(3-aminopropylamino)butanal (CID 19913541) is 4-(3-aminopropylamino)butanal.
What is the SMILES notation for 4-(3-aminopropylamino)butanal?
The canonical SMILES for 4-(3-aminopropylamino)butanal is NCCCNCCCC=O.
What is the InChIKey of 4-(3-aminopropylamino)butanal?
The InChIKey is JNZUMEMWAPJNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-4-3-6-9-5-1-2-7-10/h7,9H,1-6,8H2.
What are the key properties of 4-(3-aminopropylamino)butanal?
4-(3-aminopropylamino)butanal has a molecular weight of 144.22 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropylamino)butanal is sourced from PubChem (CID 19913541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).