(8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine

C19H23N — CID 73346334

IUPAC(8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
SMILESc1ccc(CCNC2C3C4CC5C6C4CC3C6C52)cc1
InChIInChI=1S/C19H23N/c1-2-4-10(5-3-1)6-7-20-19-16-12-9-13-15-11(12)8-14(16)17(15)18(13)19/h1-5,11-20H,6-9H2
InChIKeyKBAKPEFQDPCCTP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.97
Rot. Bonds4

About (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine

(8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine (PubChem CID 73346334) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.

Molecular Properties

Compound Name(8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
PubChem CID73346334
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
SMILESc1ccc(CCNC2C3C4CC5C6C4CC3C6C52)cc1
InChIInChI=1S/C19H23N/c1-2-4-10(5-3-1)6-7-20-19-16-12-9-13-15-11(12)8-14(16)17(15)18(13)19/h1-5,11-20H,6-9H2
InChIKeyKBAKPEFQDPCCTP-UHFFFAOYSA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The IUPAC name of (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine (CID 73346334) is (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.
What is the SMILES notation for (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The canonical SMILES for (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine is c1ccc(CCNC2C3C4CC5C6C4CC3C6C52)cc1.
What is the InChIKey of (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The InChIKey is KBAKPEFQDPCCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-4-10(5-3-1)6-7-20-19-16-12-9-13-15-11(12)8-14(16)17(15)18(13)19/h1-5,11-20H,6-9H2.
What are the key properties of (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
(8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine has a molecular weight of 265.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine is sourced from PubChem (CID 73346334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).