(1R)-1-N-propylcyclohex-3-ene-1,3-diamine

C9H18N2 — CID 141400748

IUPAC(1R)-1-N-propylcyclohex-3-ene-1,3-diamine
SMILESCCCN[C@@H]1CCC=C(N)C1
InChIInChI=1S/C9H18N2/c1-2-6-11-9-5-3-4-8(10)7-9/h4,9,11H,2-3,5-7,10H2,1H3/t9-/m1/s1
InChIKeyLMZDJCWNXAVGJJ-SECBINFHSA-N
MW154.26 g/mol
LogP1.38
Rot. Bonds3

About (1R)-1-N-propylcyclohex-3-ene-1,3-diamine

(1R)-1-N-propylcyclohex-3-ene-1,3-diamine (PubChem CID 141400748) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (1R)-1-N-propylcyclohex-3-ene-1,3-diamine.

Molecular Properties

Compound Name(1R)-1-N-propylcyclohex-3-ene-1,3-diamine
PubChem CID141400748
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(1R)-1-N-propylcyclohex-3-ene-1,3-diamine
SMILESCCCN[C@@H]1CCC=C(N)C1
InChIInChI=1S/C9H18N2/c1-2-6-11-9-5-3-4-8(10)7-9/h4,9,11H,2-3,5-7,10H2,1H3/t9-/m1/s1
InChIKeyLMZDJCWNXAVGJJ-SECBINFHSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-N-propylcyclohex-3-ene-1,3-diamine?
The IUPAC name of (1R)-1-N-propylcyclohex-3-ene-1,3-diamine (CID 141400748) is (1R)-1-N-propylcyclohex-3-ene-1,3-diamine.
What is the SMILES notation for (1R)-1-N-propylcyclohex-3-ene-1,3-diamine?
The canonical SMILES for (1R)-1-N-propylcyclohex-3-ene-1,3-diamine is CCCN[C@@H]1CCC=C(N)C1.
What is the InChIKey of (1R)-1-N-propylcyclohex-3-ene-1,3-diamine?
The InChIKey is LMZDJCWNXAVGJJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-6-11-9-5-3-4-8(10)7-9/h4,9,11H,2-3,5-7,10H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-N-propylcyclohex-3-ene-1,3-diamine?
(1R)-1-N-propylcyclohex-3-ene-1,3-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-N-propylcyclohex-3-ene-1,3-diamine is sourced from PubChem (CID 141400748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).