N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine

C21H25N — CID 87783883

IUPACN,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine
SMILESCC(CC1=CC=c2ccccc2=C2CC=CC=C12)CN(C)C
InChIInChI=1S/C21H25N/c1-16(15-22(2)3)14-18-13-12-17-8-4-5-9-19(17)21-11-7-6-10-20(18)21/h4-10,12-13,16H,11,14-15H2,1-3H3
InChIKeyZTXWJDRMPJWCSV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.03
Rot. Bonds4

About N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine

N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine (PubChem CID 87783883) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine
PubChem CID87783883
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC NameN,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine
SMILESCC(CC1=CC=c2ccccc2=C2CC=CC=C12)CN(C)C
InChIInChI=1S/C21H25N/c1-16(15-22(2)3)14-18-13-12-17-8-4-5-9-19(17)21-11-7-6-10-20(18)21/h4-10,12-13,16H,11,14-15H2,1-3H3
InChIKeyZTXWJDRMPJWCSV-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene
CID 10487897
1-(2-Fluoroethyl)-4-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
CID 155197640
3-Methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene
CID 10608234
1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
CID 137286778
N,N-dimethyl-3-(8-tricyclo[7.3.1.02,7]trideca-3,5,7-trienyl)propan-1-amine
CID 205176
n,n-Dimethyl-1-(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233422
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424
1-Methyl-4-[2-(2-methylcyclohexa-1,4-dien-1-yl)ethyl]piperidine
CID 20365143
3-(1,4,5,6,7,8-hexahydronaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 21436137
N,N-diethyl-1-(9-methyl-4,5,6,7,8,9-hexahydro-1H-benzo[7]annulen-5-yl)propan-1-amine
CID 22758152
1,2,3,4,5,8-Hexahydro-1-diethylaminopropylnaphthalene
CID 22758167
2-(4,5-dicyclohexylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 53786351

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine?
The IUPAC name of N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine (CID 87783883) is N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine?
The canonical SMILES for N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine is CC(CC1=CC=c2ccccc2=C2CC=CC=C12)CN(C)C.
What is the InChIKey of N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine?
The InChIKey is ZTXWJDRMPJWCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-16(15-22(2)3)14-18-13-12-17-8-4-5-9-19(17)21-11-7-6-10-20(18)21/h4-10,12-13,16H,11,14-15H2,1-3H3.
What are the key properties of N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine?
N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine is sourced from PubChem (CID 87783883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).