2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine

C10H18N2 — CID 143146397

IUPAC2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
SMILESC/C=N/C1=C(NC)CCCC1C
InChIInChI=1S/C10H18N2/c1-4-12-10-8(2)6-5-7-9(10)11-3/h4,8,11H,5-7H2,1-3H3/b12-4+
InChIKeyQSRHKWQUODMUKH-UUILKARUSA-N
MW166.27 g/mol
LogP2.33
Rot. Bonds2

About 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine

2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine (PubChem CID 143146397) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine.

Molecular Properties

Compound Name2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
PubChem CID143146397
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
SMILESC/C=N/C1=C(NC)CCCC1C
InChIInChI=1S/C10H18N2/c1-4-12-10-8(2)6-5-7-9(10)11-3/h4,8,11H,5-7H2,1-3H3/b12-4+
InChIKeyQSRHKWQUODMUKH-UUILKARUSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine?
The IUPAC name of 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine (CID 143146397) is 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine.
What is the SMILES notation for 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine?
The canonical SMILES for 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine is C/C=N/C1=C(NC)CCCC1C.
What is the InChIKey of 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine?
The InChIKey is QSRHKWQUODMUKH-UUILKARUSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-12-10-8(2)6-5-7-9(10)11-3/h4,8,11H,5-7H2,1-3H3/b12-4+.
What are the key properties of 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine?
2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine is sourced from PubChem (CID 143146397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).