N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine

C17H25N — CID 3021778

IUPACN-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCN(CC)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
InChIKeyWLXNXBJFLLQZLF-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.35
Rot. Bonds5

About N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine

N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine (PubChem CID 3021778) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine
PubChem CID3021778
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCN(CC)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3
InChIKeyWLXNXBJFLLQZLF-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine (CID 3021778) is N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine is C=CCN(CC)C1(c2ccccc2)CCCCC1.
What is the InChIKey of N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is WLXNXBJFLLQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3.
What are the key properties of N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine?
N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 3021778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).