1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine

C14H23N3 — CID 89037599

IUPAC1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine
SMILESC=C(C)N(C1C=NCCC1)C1CCC=CC1N
InChIInChI=1S/C14H23N3/c1-11(2)17(12-6-5-9-16-10-12)14-8-4-3-7-13(14)15/h3,7,10,12-14H,1,4-6,8-9,15H2,2H3
InChIKeyYFKIYGIIEHPGFN-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.10
Rot. Bonds3

About 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine

1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine (PubChem CID 89037599) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine
PubChem CID89037599
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine
SMILESC=C(C)N(C1C=NCCC1)C1CCC=CC1N
InChIInChI=1S/C14H23N3/c1-11(2)17(12-6-5-9-16-10-12)14-8-4-3-7-13(14)15/h3,7,10,12-14H,1,4-6,8-9,15H2,2H3
InChIKeyYFKIYGIIEHPGFN-UHFFFAOYSA-N
XLogP2.10
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine?
The IUPAC name of 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine (CID 89037599) is 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine.
What is the SMILES notation for 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine?
The canonical SMILES for 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine is C=C(C)N(C1C=NCCC1)C1CCC=CC1N.
What is the InChIKey of 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine?
The InChIKey is YFKIYGIIEHPGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)17(12-6-5-9-16-10-12)14-8-4-3-7-13(14)15/h3,7,10,12-14H,1,4-6,8-9,15H2,2H3.
What are the key properties of 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine?
1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-prop-1-en-2-yl-1-N-(2,3,4,5-tetrahydropyridin-5-yl)cyclohex-3-ene-1,2-diamine is sourced from PubChem (CID 89037599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).