N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine

C9H18N2 — CID 126636052

IUPACN'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine
SMILESCC1=CC(NCN)CC(C)C1
InChIInChI=1S/C9H18N2/c1-7-3-8(2)5-9(4-7)11-6-10/h4,8-9,11H,3,5-6,10H2,1-2H3
InChIKeyRIOCYRMLFLENTI-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.24
Rot. Bonds2

About N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine

N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine (PubChem CID 126636052) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine.

Molecular Properties

Compound NameN'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine
PubChem CID126636052
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine
SMILESCC1=CC(NCN)CC(C)C1
InChIInChI=1S/C9H18N2/c1-7-3-8(2)5-9(4-7)11-6-10/h4,8-9,11H,3,5-6,10H2,1-2H3
InChIKeyRIOCYRMLFLENTI-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine?
The IUPAC name of N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine (CID 126636052) is N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine.
What is the SMILES notation for N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine?
The canonical SMILES for N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine is CC1=CC(NCN)CC(C)C1.
What is the InChIKey of N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine?
The InChIKey is RIOCYRMLFLENTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-3-8(2)5-9(4-7)11-6-10/h4,8-9,11H,3,5-6,10H2,1-2H3.
What are the key properties of N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine?
N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine has a molecular weight of 154.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylcyclohex-2-en-1-yl)methanediamine is sourced from PubChem (CID 126636052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).