5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine

C10H25N9 — CID 163829284

IUPAC5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine
SMILESC=NC1=C(C(C)C)C(N)(N)C(N)(N)C(N)(N)C1(N)N
InChIInChI=1S/C10H25N9/c1-4(2)5-6(19-3)8(13,14)10(17,18)9(15,16)7(5,11)12/h4H,3,11-18H2,1-2H3
InChIKeyOCGQOVBKCPJYQO-UHFFFAOYSA-N
MW271.37 g/mol
LogP-3.93
Rot. Bonds2

About 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine

5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine (PubChem CID 163829284) has the molecular formula C10H25N9 and a molecular weight of 271.37 g/mol. Its IUPAC name is 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine.

Molecular Properties

Compound Name5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine
PubChem CID163829284
Molecular FormulaC10H25N9
Molecular Weight271.37 g/mol
Exact Mass271.22
IUPAC Name5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine
SMILESC=NC1=C(C(C)C)C(N)(N)C(N)(N)C(N)(N)C1(N)N
InChIInChI=1S/C10H25N9/c1-4(2)5-6(19-3)8(13,14)10(17,18)9(15,16)7(5,11)12/h4H,3,11-18H2,1-2H3
InChIKeyOCGQOVBKCPJYQO-UHFFFAOYSA-N
XLogP-3.93
TPSA220.52 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.37
LogP ≤ 5-3.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine?
The IUPAC name of 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine (CID 163829284) is 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine.
What is the SMILES notation for 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine?
The canonical SMILES for 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine is C=NC1=C(C(C)C)C(N)(N)C(N)(N)C(N)(N)C1(N)N.
What is the InChIKey of 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine?
The InChIKey is OCGQOVBKCPJYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N9/c1-4(2)5-6(19-3)8(13,14)10(17,18)9(15,16)7(5,11)12/h4H,3,11-18H2,1-2H3.
What are the key properties of 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine?
5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine has a molecular weight of 271.37 g/mol, XLogP of -3.93, 2 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylideneamino)-6-propan-2-ylcyclohex-5-ene-1,1,2,2,3,3,4,4-octamine is sourced from PubChem (CID 163829284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).