N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine

C12H19N — CID 126758964

IUPACN-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine
SMILESC/C=C\C1=C(/N=C/C)CCCCC1
InChIInChI=1S/C12H19N/c1-3-8-11-9-6-5-7-10-12(11)13-4-2/h3-4,8H,5-7,9-10H2,1-2H3/b8-3-,13-4+
InChIKeyROSINZDFPXWPHO-FDHJNFDVSA-N
MW177.29 g/mol
LogP3.87
Rot. Bonds2

About N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine

N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine (PubChem CID 126758964) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine.

Molecular Properties

Compound NameN-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine
PubChem CID126758964
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine
SMILESC/C=C\C1=C(/N=C/C)CCCCC1
InChIInChI=1S/C12H19N/c1-3-8-11-9-6-5-7-10-12(11)13-4-2/h3-4,8H,5-7,9-10H2,1-2H3/b8-3-,13-4+
InChIKeyROSINZDFPXWPHO-FDHJNFDVSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.87
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-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine?
The IUPAC name of N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine (CID 126758964) is N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine.
What is the SMILES notation for N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine?
The canonical SMILES for N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine is C/C=C\C1=C(/N=C/C)CCCCC1.
What is the InChIKey of N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine?
The InChIKey is ROSINZDFPXWPHO-FDHJNFDVSA-N. The full InChI is InChI=1S/C12H19N/c1-3-8-11-9-6-5-7-10-12(11)13-4-2/h3-4,8H,5-7,9-10H2,1-2H3/b8-3-,13-4+.
What are the key properties of N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine?
N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-prop-1-enyl]cyclohepten-1-yl]ethanimine is sourced from PubChem (CID 126758964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).