N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine

C17H25N — CID 5138692

IUPACN-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(NC(C)c2ccccc2)CCCCC1
InChIInChI=1S/C17H25N/c1-3-12-17(13-8-5-9-14-17)18-15(2)16-10-6-4-7-11-16/h3-4,6-7,10-11,15,18H,1,5,8-9,12-14H2,2H3
InChIKeyZBPULEVGLDAPNQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.62
Rot. Bonds5

About N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine

N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine (PubChem CID 5138692) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine
PubChem CID5138692
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1(NC(C)c2ccccc2)CCCCC1
InChIInChI=1S/C17H25N/c1-3-12-17(13-8-5-9-14-17)18-15(2)16-10-6-4-7-11-16/h3-4,6-7,10-11,15,18H,1,5,8-9,12-14H2,2H3
InChIKeyZBPULEVGLDAPNQ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
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-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine?
The IUPAC name of N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine (CID 5138692) is N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine is C=CCC1(NC(C)c2ccccc2)CCCCC1.
What is the InChIKey of N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine?
The InChIKey is ZBPULEVGLDAPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-12-17(13-8-5-9-14-17)18-15(2)16-10-6-4-7-11-16/h3-4,6-7,10-11,15,18H,1,5,8-9,12-14H2,2H3.
What are the key properties of N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine?
N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 5138692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).