1-N-cyclopropylcyclohexane-1,3-diamine

C9H18N2 — CID 79462440

IUPAC1-N-cyclopropylcyclohexane-1,3-diamine
SMILESNC1CCCC(NC2CC2)C1
InChIInChI=1S/C9H18N2/c10-7-2-1-3-9(6-7)11-8-4-5-8/h7-9,11H,1-6,10H2
InChIKeyJTRZFIVSYIZLPT-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.01
Rot. Bonds2

About 1-N-cyclopropylcyclohexane-1,3-diamine

1-N-cyclopropylcyclohexane-1,3-diamine (PubChem CID 79462440) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-N-cyclopropylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropylcyclohexane-1,3-diamine
PubChem CID79462440
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-N-cyclopropylcyclohexane-1,3-diamine
SMILESNC1CCCC(NC2CC2)C1
InChIInChI=1S/C9H18N2/c10-7-2-1-3-9(6-7)11-8-4-5-8/h7-9,11H,1-6,10H2
InChIKeyJTRZFIVSYIZLPT-UHFFFAOYSA-N
XLogP1.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-cyclopropylcyclohexane-1,3-diamine (CID 79462440) is 1-N-cyclopropylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropylcyclohexane-1,3-diamine is NC1CCCC(NC2CC2)C1.
What is the InChIKey of 1-N-cyclopropylcyclohexane-1,3-diamine?
The InChIKey is JTRZFIVSYIZLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c10-7-2-1-3-9(6-7)11-8-4-5-8/h7-9,11H,1-6,10H2.
What are the key properties of 1-N-cyclopropylcyclohexane-1,3-diamine?
1-N-cyclopropylcyclohexane-1,3-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropylcyclohexane-1,3-diamine is sourced from PubChem (CID 79462440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).