N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine

C10H15N — CID 91329113

IUPACN-(2-methylcyclohexen-1-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)CCCC1
InChIInChI=1S/C10H15N/c1-3-8-11-10-7-5-4-6-9(10)2/h3,8H,1,4-7H2,2H3/b11-8+
InChIKeyPFVIOQHWPLWWEK-DHZHZOJOSA-N
MW149.24 g/mol
LogP3.09
Rot. Bonds2

About N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine

N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine (PubChem CID 91329113) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2-methylcyclohexen-1-yl)prop-2-en-1-imine
PubChem CID91329113
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(2-methylcyclohexen-1-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)CCCC1
InChIInChI=1S/C10H15N/c1-3-8-11-10-7-5-4-6-9(10)2/h3,8H,1,4-7H2,2H3/b11-8+
InChIKeyPFVIOQHWPLWWEK-DHZHZOJOSA-N
XLogP3.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylcyclohexen-1-yl)prop-2-en-1-imine?
The IUPAC name of N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine (CID 91329113) is N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine?
The canonical SMILES for N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine is C=C/C=N/C1=C(C)CCCC1.
What is the InChIKey of N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine?
The InChIKey is PFVIOQHWPLWWEK-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15N/c1-3-8-11-10-7-5-4-6-9(10)2/h3,8H,1,4-7H2,2H3/b11-8+.
What are the key properties of N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine?
N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexen-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 91329113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).