N'-pentan-3-ylethane-1,2-diamine

C7H18N2 — CID 14670812

IUPACN'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN
InChIInChI=1S/C7H18N2/c1-3-7(4-2)9-6-5-8/h7,9H,3-6,8H2,1-2H3
InChIKeyJWRIBBHPRWTITQ-UHFFFAOYSA-N
MW130.23 g/mol
LogP0.72
Rot. Bonds5

About N'-pentan-3-ylethane-1,2-diamine

N'-pentan-3-ylethane-1,2-diamine (PubChem CID 14670812) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-pentan-3-ylethane-1,2-diamine
PubChem CID14670812
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC NameN'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)NCCN
InChIInChI=1S/C7H18N2/c1-3-7(4-2)9-6-5-8/h7,9H,3-6,8H2,1-2H3
InChIKeyJWRIBBHPRWTITQ-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-pentan-3-ylethane-1,2-diamine (CID 14670812) is N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-pentan-3-ylethane-1,2-diamine is CCC(CC)NCCN.
What is the InChIKey of N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is JWRIBBHPRWTITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2/c1-3-7(4-2)9-6-5-8/h7,9H,3-6,8H2,1-2H3.
What are the key properties of N'-pentan-3-ylethane-1,2-diamine?
N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 14670812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).