2-cyclobutylpropane-1,3-diamine

C7H16N2 — CID 117245607

IUPAC2-cyclobutylpropane-1,3-diamine
SMILESNCC(CN)C1CCC1
InChIInChI=1S/C7H16N2/c8-4-7(5-9)6-2-1-3-6/h6-7H,1-5,8-9H2
InChIKeyVYRJECSRUMCZAO-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.32
Rot. Bonds3

About 2-cyclobutylpropane-1,3-diamine

2-cyclobutylpropane-1,3-diamine (PubChem CID 117245607) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-cyclobutylpropane-1,3-diamine.

Molecular Properties

Compound Name2-cyclobutylpropane-1,3-diamine
PubChem CID117245607
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-cyclobutylpropane-1,3-diamine
SMILESNCC(CN)C1CCC1
InChIInChI=1S/C7H16N2/c8-4-7(5-9)6-2-1-3-6/h6-7H,1-5,8-9H2
InChIKeyVYRJECSRUMCZAO-UHFFFAOYSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylpropane-1,3-diamine?
The IUPAC name of 2-cyclobutylpropane-1,3-diamine (CID 117245607) is 2-cyclobutylpropane-1,3-diamine.
What is the SMILES notation for 2-cyclobutylpropane-1,3-diamine?
The canonical SMILES for 2-cyclobutylpropane-1,3-diamine is NCC(CN)C1CCC1.
What is the InChIKey of 2-cyclobutylpropane-1,3-diamine?
The InChIKey is VYRJECSRUMCZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c8-4-7(5-9)6-2-1-3-6/h6-7H,1-5,8-9H2.
What are the key properties of 2-cyclobutylpropane-1,3-diamine?
2-cyclobutylpropane-1,3-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylpropane-1,3-diamine is sourced from PubChem (CID 117245607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).