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

C20H25N — CID 73349361

IUPAC(8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
SMILESCN(CCc1ccccc1)C1C2C3CC4C5C3CC2C5C41
InChIInChI=1S/C20H25N/c1-21(8-7-11-5-3-2-4-6-11)20-17-13-10-14-16-12(13)9-15(17)18(16)19(14)20/h2-6,12-20H,7-10H2,1H3
InChIKeyMJOVYQVAQIHDSE-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.31
Rot. Bonds4

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

(8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine (PubChem CID 73349361) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.

Molecular Properties

Compound Name(8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
PubChem CID73349361
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
SMILESCN(CCc1ccccc1)C1C2C3CC4C5C3CC2C5C41
InChIInChI=1S/C20H25N/c1-21(8-7-11-5-3-2-4-6-11)20-17-13-10-14-16-12(13)9-15(17)18(16)19(14)20/h2-6,12-20H,7-10H2,1H3
InChIKeyMJOVYQVAQIHDSE-UHFFFAOYSA-N
XLogP3.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-1-N-(2-phenylethyl)cyclobutane-1,3-diamine
CID 80561805
4-[methyl(2-phenylethyl)amino]pyrrolidin-3-ol
CID 65487607
2-N,4-dimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 65486260
1-N,2-N,4-trimethyl-2-N-(2-phenylethyl)cyclohexane-1,2-diamine
CID 65487409
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
(2S,3S,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-[methyl(2-phenylethyl)amino]oxolan-3-ol
CID 162796954
2-[methyl(2-phenylethyl)amino]cyclopentan-1-one
CID 65488015
1-chloro-N-methyl-N-(2-phenylethyl)ethenamine
CID 91113083
2-N,2-dimethyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 28759347
3-[4-(2-fluorocyclopropyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243797
3-[4-(2-bromocyclopropyl)phenyl]-N-methyl-N-(2-phenylethyl)propan-1-amine
CID 70243904

Frequently Asked Questions

What is the IUPAC name of (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The IUPAC name of (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine (CID 73349361) is (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.
What is the SMILES notation for (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The canonical SMILES for (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine is CN(CCc1ccccc1)C1C2C3CC4C5C3CC2C5C41.
What is the InChIKey of (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The InChIKey is MJOVYQVAQIHDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-21(8-7-11-5-3-2-4-6-11)20-17-13-10-14-16-12(13)9-15(17)18(16)19(14)20/h2-6,12-20H,7-10H2,1H3.
What are the key properties of (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
(8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine has a molecular weight of 279.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-methyl-N-(2-phenylethyl)pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine is sourced from PubChem (CID 73349361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).