(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine

C14H19N — CID 166722722

IUPAC(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
SMILESCNC[C@@H](C)c1ccccccccc1
InChIInChI=1S/C14H19N/c1-13(12-15-2)14-10-8-6-4-3-5-7-9-11-14/h3-11,13,15H,12H2,1-2H3/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,14-10+,14-11+/t13-/m1/s1
InChIKeyFRRGFVPOFCALCT-FPUTYMHBSA-N
MW201.31 g/mol
LogP3.13
Rot. Bonds3

About (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine

(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine (PubChem CID 166722722) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
PubChem CID166722722
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
SMILESCNC[C@@H](C)c1ccccccccc1
InChIInChI=1S/C14H19N/c1-13(12-15-2)14-10-8-6-4-3-5-7-9-11-14/h3-11,13,15H,12H2,1-2H3/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,14-10+,14-11+/t13-/m1/s1
InChIKeyFRRGFVPOFCALCT-FPUTYMHBSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-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

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-(methylamino)-4-phenylpentan-2-ol
CID 62773320
[(2S)-2-phenylpropyl]hydrazine
CID 76971638
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
N-methyl-N-[[4-[1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 105346501
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
2-(3-ethylphenyl)-N-methylpropan-1-amine
CID 105425624
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine?
The IUPAC name of (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine (CID 166722722) is (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine.
What is the SMILES notation for (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine?
The canonical SMILES for (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine is CNC[C@@H](C)c1ccccccccc1.
What is the InChIKey of (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine?
The InChIKey is FRRGFVPOFCALCT-FPUTYMHBSA-N. The full InChI is InChI=1S/C14H19N/c1-13(12-15-2)14-10-8-6-4-3-5-7-9-11-14/h3-11,13,15H,12H2,1-2H3/b4-3-,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,14-10+,14-11+/t13-/m1/s1.
What are the key properties of (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine?
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 166722722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).