(E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine

C10H18N2 — CID 167167277

IUPAC(E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine
SMILESC/N=C/C(N)=C\C1CCCCC1
InChIInChI=1S/C10H18N2/c1-12-8-10(11)7-9-5-3-2-4-6-9/h7-9H,2-6,11H2,1H3/b10-7+,12-8+
InChIKeyKTCAIMJTSDLHIU-SMTGYRLFSA-N
MW166.27 g/mol
LogP2.11
Rot. Bonds2

About (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine

(E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine (PubChem CID 167167277) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine
PubChem CID167167277
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine
SMILESC/N=C/C(N)=C\C1CCCCC1
InChIInChI=1S/C10H18N2/c1-12-8-10(11)7-9-5-3-2-4-6-9/h7-9H,2-6,11H2,1H3/b10-7+,12-8+
InChIKeyKTCAIMJTSDLHIU-SMTGYRLFSA-N
XLogP2.11
TPSA38.38 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 ≤ 52.11
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 (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine?
The IUPAC name of (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine (CID 167167277) is (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine.
What is the SMILES notation for (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine?
The canonical SMILES for (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine is C/N=C/C(N)=C\C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine?
The InChIKey is KTCAIMJTSDLHIU-SMTGYRLFSA-N. The full InChI is InChI=1S/C10H18N2/c1-12-8-10(11)7-9-5-3-2-4-6-9/h7-9H,2-6,11H2,1H3/b10-7+,12-8+.
What are the key properties of (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine?
(E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine has a molecular weight of 166.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3-methyliminoprop-1-en-2-amine is sourced from PubChem (CID 167167277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).