1-cyclopentylethane-1,2-diamine

C7H16N2 — CID 22315742

IUPAC1-cyclopentylethane-1,2-diamine
SMILESNCC(N)C1CCCC1
InChIInChI=1S/C7H16N2/c8-5-7(9)6-3-1-2-4-6/h6-7H,1-5,8-9H2
InChIKeyXTMAWRIDJLIMJT-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.46
Rot. Bonds2

About 1-cyclopentylethane-1,2-diamine

1-cyclopentylethane-1,2-diamine (PubChem CID 22315742) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-cyclopentylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentylethane-1,2-diamine
PubChem CID22315742
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-cyclopentylethane-1,2-diamine
SMILESNCC(N)C1CCCC1
InChIInChI=1S/C7H16N2/c8-5-7(9)6-3-1-2-4-6/h6-7H,1-5,8-9H2
InChIKeyXTMAWRIDJLIMJT-UHFFFAOYSA-N
XLogP0.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylethane-1,2-diamine?
The IUPAC name of 1-cyclopentylethane-1,2-diamine (CID 22315742) is 1-cyclopentylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentylethane-1,2-diamine is NCC(N)C1CCCC1.
What is the InChIKey of 1-cyclopentylethane-1,2-diamine?
The InChIKey is XTMAWRIDJLIMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c8-5-7(9)6-3-1-2-4-6/h6-7H,1-5,8-9H2.
What are the key properties of 1-cyclopentylethane-1,2-diamine?
1-cyclopentylethane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethane-1,2-diamine is sourced from PubChem (CID 22315742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).