N'-pent-4-enylbutane-1,4-diamine

C9H20N2 — CID 89325974

IUPACN'-pent-4-enylbutane-1,4-diamine
SMILESC=CCCCNCCCCN
InChIInChI=1S/C9H20N2/c1-2-3-5-8-11-9-6-4-7-10/h2,11H,1,3-10H2
InChIKeyJPGSCGHTKVYFJM-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.28
Rot. Bonds8

About N'-pent-4-enylbutane-1,4-diamine

N'-pent-4-enylbutane-1,4-diamine (PubChem CID 89325974) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-pent-4-enylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-pent-4-enylbutane-1,4-diamine
PubChem CID89325974
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-pent-4-enylbutane-1,4-diamine
SMILESC=CCCCNCCCCN
InChIInChI=1S/C9H20N2/c1-2-3-5-8-11-9-6-4-7-10/h2,11H,1,3-10H2
InChIKeyJPGSCGHTKVYFJM-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-hept-6-enylethane-1,2-diamine
CID 107006766
heptadec-16-en-1-amine
CID 15590771
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
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
N-pent-4-enyloctan-1-amine
CID 79006791
docos-21-en-1-amine;hydrochloride
CID 153323410
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
2-(pent-4-enylamino)ethanethiol
CID 71436009
ethane;N-prop-2-enylpent-4-en-1-amine
CID 144890480

Frequently Asked Questions

What is the IUPAC name of N'-pent-4-enylbutane-1,4-diamine?
The IUPAC name of N'-pent-4-enylbutane-1,4-diamine (CID 89325974) is N'-pent-4-enylbutane-1,4-diamine.
What is the SMILES notation for N'-pent-4-enylbutane-1,4-diamine?
The canonical SMILES for N'-pent-4-enylbutane-1,4-diamine is C=CCCCNCCCCN.
What is the InChIKey of N'-pent-4-enylbutane-1,4-diamine?
The InChIKey is JPGSCGHTKVYFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-5-8-11-9-6-4-7-10/h2,11H,1,3-10H2.
What are the key properties of N'-pent-4-enylbutane-1,4-diamine?
N'-pent-4-enylbutane-1,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pent-4-enylbutane-1,4-diamine is sourced from PubChem (CID 89325974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).