2-methylidenecyclohexane-1,3-diamine

C7H14N2 — CID 89104268

IUPAC2-methylidenecyclohexane-1,3-diamine
SMILESC=C1C(N)CCCC1N
InChIInChI=1S/C7H14N2/c1-5-6(8)3-2-4-7(5)9/h6-7H,1-4,8-9H2
InChIKeyRIFIINASQXNNQP-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.38
Rot. Bonds

About 2-methylidenecyclohexane-1,3-diamine

2-methylidenecyclohexane-1,3-diamine (PubChem CID 89104268) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-methylidenecyclohexane-1,3-diamine.

Molecular Properties

Compound Name2-methylidenecyclohexane-1,3-diamine
PubChem CID89104268
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-methylidenecyclohexane-1,3-diamine
SMILESC=C1C(N)CCCC1N
InChIInChI=1S/C7H14N2/c1-5-6(8)3-2-4-7(5)9/h6-7H,1-4,8-9H2
InChIKeyRIFIINASQXNNQP-UHFFFAOYSA-N
XLogP0.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-methylidenecyclohexane-1,3-diamine?
The IUPAC name of 2-methylidenecyclohexane-1,3-diamine (CID 89104268) is 2-methylidenecyclohexane-1,3-diamine.
What is the SMILES notation for 2-methylidenecyclohexane-1,3-diamine?
The canonical SMILES for 2-methylidenecyclohexane-1,3-diamine is C=C1C(N)CCCC1N.
What is the InChIKey of 2-methylidenecyclohexane-1,3-diamine?
The InChIKey is RIFIINASQXNNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-6(8)3-2-4-7(5)9/h6-7H,1-4,8-9H2.
What are the key properties of 2-methylidenecyclohexane-1,3-diamine?
2-methylidenecyclohexane-1,3-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenecyclohexane-1,3-diamine is sourced from PubChem (CID 89104268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).