N'-pent-1-en-2-ylethane-1,2-diamine

C7H16N2 — CID 89152133

IUPACN'-pent-1-en-2-ylethane-1,2-diamine
SMILESC=C(CCC)NCCN
InChIInChI=1S/C7H16N2/c1-3-4-7(2)9-6-5-8/h9H,2-6,8H2,1H3
InChIKeyBRNILWRGYPFHLP-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.85
Rot. Bonds5

About N'-pent-1-en-2-ylethane-1,2-diamine

N'-pent-1-en-2-ylethane-1,2-diamine (PubChem CID 89152133) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N'-pent-1-en-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-pent-1-en-2-ylethane-1,2-diamine
PubChem CID89152133
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN'-pent-1-en-2-ylethane-1,2-diamine
SMILESC=C(CCC)NCCN
InChIInChI=1S/C7H16N2/c1-3-4-7(2)9-6-5-8/h9H,2-6,8H2,1H3
InChIKeyBRNILWRGYPFHLP-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N'-pent-1-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

Frequently Asked Questions

What is the IUPAC name of N'-pent-1-en-2-ylethane-1,2-diamine?
The IUPAC name of N'-pent-1-en-2-ylethane-1,2-diamine (CID 89152133) is N'-pent-1-en-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-pent-1-en-2-ylethane-1,2-diamine?
The canonical SMILES for N'-pent-1-en-2-ylethane-1,2-diamine is C=C(CCC)NCCN.
What is the InChIKey of N'-pent-1-en-2-ylethane-1,2-diamine?
The InChIKey is BRNILWRGYPFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-4-7(2)9-6-5-8/h9H,2-6,8H2,1H3.
What are the key properties of N'-pent-1-en-2-ylethane-1,2-diamine?
N'-pent-1-en-2-ylethane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pent-1-en-2-ylethane-1,2-diamine is sourced from PubChem (CID 89152133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).