1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine

C11H23N3 — CID 174760603

IUPAC1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine
SMILESCNC1C(C)=CCC(NC)(NC)C1C
InChIInChI=1S/C11H23N3/c1-8-6-7-11(13-4,14-5)9(2)10(8)12-3/h6,9-10,12-14H,7H2,1-5H3
InChIKeyJQDRWWZEUBENTC-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.70
Rot. Bonds3

About 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine

1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine (PubChem CID 174760603) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine.

Molecular Properties

Compound Name1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine
PubChem CID174760603
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine
SMILESCNC1C(C)=CCC(NC)(NC)C1C
InChIInChI=1S/C11H23N3/c1-8-6-7-11(13-4,14-5)9(2)10(8)12-3/h6,9-10,12-14H,7H2,1-5H3
InChIKeyJQDRWWZEUBENTC-UHFFFAOYSA-N
XLogP0.70
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine?
The IUPAC name of 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine (CID 174760603) is 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine.
What is the SMILES notation for 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine?
The canonical SMILES for 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine is CNC1C(C)=CCC(NC)(NC)C1C.
What is the InChIKey of 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine?
The InChIKey is JQDRWWZEUBENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8-6-7-11(13-4,14-5)9(2)10(8)12-3/h6,9-10,12-14H,7H2,1-5H3.
What are the key properties of 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine?
1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine has a molecular weight of 197.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',3-N,2,4-pentamethylcyclohex-4-ene-1,1,3-triamine is sourced from PubChem (CID 174760603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).