3-cyclohexylpropane-1,2-diamine

C9H20N2 — CID 23346802

IUPAC3-cyclohexylpropane-1,2-diamine
SMILESNCC(N)CC1CCCCC1
InChIInChI=1S/C9H20N2/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9H,1-7,10-11H2
InChIKeyMDSKGSOOZVKZMD-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.24
Rot. Bonds3

About 3-cyclohexylpropane-1,2-diamine

3-cyclohexylpropane-1,2-diamine (PubChem CID 23346802) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-cyclohexylpropane-1,2-diamine.

Molecular Properties

Compound Name3-cyclohexylpropane-1,2-diamine
PubChem CID23346802
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-cyclohexylpropane-1,2-diamine
SMILESNCC(N)CC1CCCCC1
InChIInChI=1S/C9H20N2/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9H,1-7,10-11H2
InChIKeyMDSKGSOOZVKZMD-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropane-1,2-diamine?
The IUPAC name of 3-cyclohexylpropane-1,2-diamine (CID 23346802) is 3-cyclohexylpropane-1,2-diamine.
What is the SMILES notation for 3-cyclohexylpropane-1,2-diamine?
The canonical SMILES for 3-cyclohexylpropane-1,2-diamine is NCC(N)CC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropane-1,2-diamine?
The InChIKey is MDSKGSOOZVKZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c10-7-9(11)6-8-4-2-1-3-5-8/h8-9H,1-7,10-11H2.
What are the key properties of 3-cyclohexylpropane-1,2-diamine?
3-cyclohexylpropane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropane-1,2-diamine is sourced from PubChem (CID 23346802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).