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

C12H24N2 — CID 143146396

IUPACethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
SMILESC/C=N/C1=C(NC)CCCC1C.CC
InChIInChI=1S/C10H18N2.C2H6/c1-4-12-10-8(2)6-5-7-9(10)11-3;1-2/h4,8,11H,5-7H2,1-3H3;1-2H3/b12-4+;
InChIKeyBVRJDIADUSFRCM-AQCBZIOHSA-N
MW196.34 g/mol
LogP3.35
Rot. Bonds2

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

ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine (PubChem CID 143146396) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine.

Molecular Properties

Compound Nameethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
PubChem CID143146396
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine
SMILESC/C=N/C1=C(NC)CCCC1C.CC
InChIInChI=1S/C10H18N2.C2H6/c1-4-12-10-8(2)6-5-7-9(10)11-3;1-2/h4,8,11H,5-7H2,1-3H3;1-2H3/b12-4+;
InChIKeyBVRJDIADUSFRCM-AQCBZIOHSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.35
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 ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine?
The IUPAC name of ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine (CID 143146396) is ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine.
What is the SMILES notation for ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine?
The canonical SMILES for ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine is C/C=N/C1=C(NC)CCCC1C.CC.
What is the InChIKey of ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine?
The InChIKey is BVRJDIADUSFRCM-AQCBZIOHSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-4-12-10-8(2)6-5-7-9(10)11-3;1-2/h4,8,11H,5-7H2,1-3H3;1-2H3/b12-4+;.
What are the key properties of ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine?
ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine has a molecular weight of 196.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(ethylideneamino)-N,3-dimethylcyclohexen-1-amine is sourced from PubChem (CID 143146396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).