N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine

C14H26N2 — CID 59931604

IUPACN-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine
SMILESC/C=N/C1CCCCC1/N=C/C(C)C(C)C
InChIInChI=1S/C14H26N2/c1-5-15-13-8-6-7-9-14(13)16-10-12(4)11(2)3/h5,10-14H,6-9H2,1-4H3/b15-5+,16-10+
InChIKeyYBTHPDMNLHAWQP-RNEGODPTSA-N
MW222.38 g/mol
LogP3.75
Rot. Bonds4

About N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine

N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine (PubChem CID 59931604) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine.

Molecular Properties

Compound NameN-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine
PubChem CID59931604
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine
SMILESC/C=N/C1CCCCC1/N=C/C(C)C(C)C
InChIInChI=1S/C14H26N2/c1-5-15-13-8-6-7-9-14(13)16-10-12(4)11(2)3/h5,10-14H,6-9H2,1-4H3/b15-5+,16-10+
InChIKeyYBTHPDMNLHAWQP-RNEGODPTSA-N
XLogP3.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
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 N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine?
The IUPAC name of N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine (CID 59931604) is N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine.
What is the SMILES notation for N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine?
The canonical SMILES for N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine is C/C=N/C1CCCCC1/N=C/C(C)C(C)C.
What is the InChIKey of N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine?
The InChIKey is YBTHPDMNLHAWQP-RNEGODPTSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-15-13-8-6-7-9-14(13)16-10-12(4)11(2)3/h5,10-14H,6-9H2,1-4H3/b15-5+,16-10+.
What are the key properties of N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine?
N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine has a molecular weight of 222.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylideneamino)cyclohexyl]-2,3-dimethylbutan-1-imine is sourced from PubChem (CID 59931604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).