N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine

C21H25N — CID 13069109

IUPACN-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
SMILESCCN(C)CCCC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C21H25N/c1-3-22(2)14-8-13-21-15-18(16-9-4-6-11-19(16)21)17-10-5-7-12-20(17)21/h4-7,9-12,18H,3,8,13-15H2,1-2H3
InChIKeyIJVNZTURBRWMEZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.55
Rot. Bonds5

About N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine

N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine (PubChem CID 13069109) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
PubChem CID13069109
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
SMILESCCN(C)CCCC12CC(c3ccccc31)c1ccccc12
InChIInChI=1S/C21H25N/c1-3-22(2)14-8-13-21-15-18(16-9-4-6-11-19(16)21)17-10-5-7-12-20(17)21/h4-7,9-12,18H,3,8,13-15H2,1-2H3
InChIKeyIJVNZTURBRWMEZ-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-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

9,10-dihydro-N,N-dimethyl-9-anthracenepropanamine
CID 10333104
Indriline Hydrochloride
CID 66262
2-(1-benzyl-1H-inden-3-yl)-N,N-dimethylethanamine
CID 11818252
Ucl 1608
CID 656736
4-Benzyl-1-indan-2-ylmethyl-piperidine
CID 11336800
9,10-dihydroanthracene(DHA), 2c
CID 44521013
2-Fluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (24)
CID 129012324
2,4-Difluoro-10-(2-N,N-dimethylaminoethyl)isoindolo[2,1-a]indole (27)
CID 129012327
1'-(Phenylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 4687238
Dimethyl-(3-naphthalen-2-yl-bicyclo[2.2.1]hept-2-ylmethyl)-amine
CID 9903806
N,N-dimethyl-2-[3-(1-phenylethyl)-1H-inden-2-yl]ethanamine
CID 11011757
4-Fluoren-9-ylidene-1-methyl-piperidine
CID 14119530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine?
The IUPAC name of N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine (CID 13069109) is N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine is CCN(C)CCCC12CC(c3ccccc31)c1ccccc12.
What is the InChIKey of N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine?
The InChIKey is IJVNZTURBRWMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-3-22(2)14-8-13-21-15-18(16-9-4-6-11-19(16)21)17-10-5-7-12-20(17)21/h4-7,9-12,18H,3,8,13-15H2,1-2H3.
What are the key properties of N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine?
N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine is sourced from PubChem (CID 13069109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).