1-N-propylcyclohexane-1,3-diamine

C9H20N2 — CID 22026573

IUPAC1-N-propylcyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N)C1
InChIInChI=1S/C9H20N2/c1-2-6-11-9-5-3-4-8(10)7-9/h8-9,11H,2-7,10H2,1H3
InChIKeyDNLGRSYYGVCONU-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.26
Rot. Bonds3

About 1-N-propylcyclohexane-1,3-diamine

1-N-propylcyclohexane-1,3-diamine (PubChem CID 22026573) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N-propylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-propylcyclohexane-1,3-diamine
PubChem CID22026573
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N-propylcyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N)C1
InChIInChI=1S/C9H20N2/c1-2-6-11-9-5-3-4-8(10)7-9/h8-9,11H,2-7,10H2,1H3
InChIKeyDNLGRSYYGVCONU-UHFFFAOYSA-N
XLogP1.26
TPSA38.05 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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-propylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-propylcyclohexane-1,3-diamine (CID 22026573) is 1-N-propylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-propylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-propylcyclohexane-1,3-diamine is CCCNC1CCCC(N)C1.
What is the InChIKey of 1-N-propylcyclohexane-1,3-diamine?
The InChIKey is DNLGRSYYGVCONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-6-11-9-5-3-4-8(10)7-9/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 1-N-propylcyclohexane-1,3-diamine?
1-N-propylcyclohexane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propylcyclohexane-1,3-diamine is sourced from PubChem (CID 22026573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).