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

C19H29N — CID 101017768

IUPACN-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
SMILESC=CCC1(NCCc2ccccc2)CCCCCCC1
InChIInChI=1S/C19H29N/c1-2-14-19(15-9-4-3-5-10-16-19)20-17-13-18-11-7-6-8-12-18/h2,6-8,11-12,20H,1,3-5,9-10,13-17H2
InChIKeyGPHPUAQAMJSRTO-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.88
Rot. Bonds6

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

N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine (PubChem CID 101017768) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
PubChem CID101017768
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
SMILESC=CCC1(NCCc2ccccc2)CCCCCCC1
InChIInChI=1S/C19H29N/c1-2-14-19(15-9-4-3-5-10-16-19)20-17-13-18-11-7-6-8-12-18/h2,6-8,11-12,20H,1,3-5,9-10,13-17H2
InChIKeyGPHPUAQAMJSRTO-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[(1R)-1-phenylethyl]-1-prop-2-enylcyclooctan-1-amine
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N-(1-phenylethyl)-1-prop-2-enylcyclooctan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine?
The IUPAC name of N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine (CID 101017768) is N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine.
What is the SMILES notation for N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine?
The canonical SMILES for N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine is C=CCC1(NCCc2ccccc2)CCCCCCC1.
What is the InChIKey of N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine?
The InChIKey is GPHPUAQAMJSRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-14-19(15-9-4-3-5-10-16-19)20-17-13-18-11-7-6-8-12-18/h2,6-8,11-12,20H,1,3-5,9-10,13-17H2.
What are the key properties of N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine?
N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-prop-2-enylcyclooctan-1-amine is sourced from PubChem (CID 101017768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).