1-N-(4-aminobutyl)pentane-1,4-diamine

C9H23N3 — CID 91335741

IUPAC1-N-(4-aminobutyl)pentane-1,4-diamine
SMILESCC(N)CCCNCCCCN
InChIInChI=1S/C9H23N3/c1-9(11)5-4-8-12-7-3-2-6-10/h9,12H,2-8,10-11H2,1H3
InChIKeyPZDCZNXFNIASME-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.44
Rot. Bonds8

About 1-N-(4-aminobutyl)pentane-1,4-diamine

1-N-(4-aminobutyl)pentane-1,4-diamine (PubChem CID 91335741) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N-(4-aminobutyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-aminobutyl)pentane-1,4-diamine
PubChem CID91335741
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N-(4-aminobutyl)pentane-1,4-diamine
SMILESCC(N)CCCNCCCCN
InChIInChI=1S/C9H23N3/c1-9(11)5-4-8-12-7-3-2-6-10/h9,12H,2-8,10-11H2,1H3
InChIKeyPZDCZNXFNIASME-UHFFFAOYSA-N
XLogP0.44
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.44
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

(8S)-nonane-1,8-diamine
CID 87205838
decane-1,9-diamine
CID 23448369
undecane-1,10-diamine
CID 140782210
1-N-(4-aminobutyl)heptane-1,4-diamine
CID 22395282
1-N-propylnonane-1,8-diamine
CID 87246434
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
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)-4-methyloctane-1,8-diamine
CID 23599731
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
CID 82853346

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-aminobutyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(4-aminobutyl)pentane-1,4-diamine (CID 91335741) is 1-N-(4-aminobutyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(4-aminobutyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(4-aminobutyl)pentane-1,4-diamine is CC(N)CCCNCCCCN.
What is the InChIKey of 1-N-(4-aminobutyl)pentane-1,4-diamine?
The InChIKey is PZDCZNXFNIASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-9(11)5-4-8-12-7-3-2-6-10/h9,12H,2-8,10-11H2,1H3.
What are the key properties of 1-N-(4-aminobutyl)pentane-1,4-diamine?
1-N-(4-aminobutyl)pentane-1,4-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-aminobutyl)pentane-1,4-diamine is sourced from PubChem (CID 91335741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).