4-propylcyclohexane-1,3-diamine

C9H20N2 — CID 175197962

IUPAC4-propylcyclohexane-1,3-diamine
SMILESCCCC1CCC(N)CC1N
InChIInChI=1S/C9H20N2/c1-2-3-7-4-5-8(10)6-9(7)11/h7-9H,2-6,10-11H2,1H3
InChIKeyCRGKXSTVCWTZEC-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.24
Rot. Bonds2

About 4-propylcyclohexane-1,3-diamine

4-propylcyclohexane-1,3-diamine (PubChem CID 175197962) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-propylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name4-propylcyclohexane-1,3-diamine
PubChem CID175197962
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-propylcyclohexane-1,3-diamine
SMILESCCCC1CCC(N)CC1N
InChIInChI=1S/C9H20N2/c1-2-3-7-4-5-8(10)6-9(7)11/h7-9H,2-6,10-11H2,1H3
InChIKeyCRGKXSTVCWTZEC-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 4-propylcyclohexane-1,3-diamine?
The IUPAC name of 4-propylcyclohexane-1,3-diamine (CID 175197962) is 4-propylcyclohexane-1,3-diamine.
What is the SMILES notation for 4-propylcyclohexane-1,3-diamine?
The canonical SMILES for 4-propylcyclohexane-1,3-diamine is CCCC1CCC(N)CC1N.
What is the InChIKey of 4-propylcyclohexane-1,3-diamine?
The InChIKey is CRGKXSTVCWTZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-7-4-5-8(10)6-9(7)11/h7-9H,2-6,10-11H2,1H3.
What are the key properties of 4-propylcyclohexane-1,3-diamine?
4-propylcyclohexane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexane-1,3-diamine is sourced from PubChem (CID 175197962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).