N'-hex-5-en-2-ylethane-1,2-diamine

C8H18N2 — CID 104655615

IUPACN'-hex-5-en-2-ylethane-1,2-diamine
SMILESC=CCCC(C)NCCN
InChIInChI=1S/C8H18N2/c1-3-4-5-8(2)10-7-6-9/h3,8,10H,1,4-7,9H2,2H3
InChIKeyXGPCATWEVJECFS-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.89
Rot. Bonds6

About N'-hex-5-en-2-ylethane-1,2-diamine

N'-hex-5-en-2-ylethane-1,2-diamine (PubChem CID 104655615) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N'-hex-5-en-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-hex-5-en-2-ylethane-1,2-diamine
PubChem CID104655615
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN'-hex-5-en-2-ylethane-1,2-diamine
SMILESC=CCCC(C)NCCN
InChIInChI=1S/C8H18N2/c1-3-4-5-8(2)10-7-6-9/h3,8,10H,1,4-7,9H2,2H3
InChIKeyXGPCATWEVJECFS-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-hex-5-en-2-ylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(hex-5-en-2-ylamino)propanenitrile
CID 104655372
N-hex-5-en-2-yl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 104581510
3-(hex-5-en-2-ylamino)-N-methylpropanamide
CID 104581947
N-(5-methoxypentyl)hex-5-en-2-amine
CID 104582118
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427
N-[(4-chlorophenyl)methyl]hex-5-en-2-amine
CID 75525488
N-(2-ethoxypropyl)hex-5-en-2-amine
CID 104582728
N'-butan-2-ylethane-1,2-diamine;ethane
CID 142992990
CID 172753617
CID 172753617
N-[2-(1,3-thiazol-2-yl)ethyl]hex-5-en-2-amine
CID 104582125

Frequently Asked Questions

What is the IUPAC name of N'-hex-5-en-2-ylethane-1,2-diamine?
The IUPAC name of N'-hex-5-en-2-ylethane-1,2-diamine (CID 104655615) is N'-hex-5-en-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-hex-5-en-2-ylethane-1,2-diamine?
The canonical SMILES for N'-hex-5-en-2-ylethane-1,2-diamine is C=CCCC(C)NCCN.
What is the InChIKey of N'-hex-5-en-2-ylethane-1,2-diamine?
The InChIKey is XGPCATWEVJECFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-4-5-8(2)10-7-6-9/h3,8,10H,1,4-7,9H2,2H3.
What are the key properties of N'-hex-5-en-2-ylethane-1,2-diamine?
N'-hex-5-en-2-ylethane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hex-5-en-2-ylethane-1,2-diamine is sourced from PubChem (CID 104655615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).