N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine

C31H25N — CID 102513812

IUPACN-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCN(C1c2ccccc2C=Cc2ccccc21)C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C31H25N/c1-32(30-26-14-6-2-10-22(26)18-19-23-11-3-7-15-27(23)30)31-28-16-8-4-12-24(28)20-21-25-13-5-9-17-29(25)31/h2-21,30-31H,1H3
InChIKeyOJSGQWIUYYDQCJ-UHFFFAOYSA-N
MW411.55 g/mol
LogP7.47
Rot. Bonds2

About N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine

N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (PubChem CID 102513812) has the molecular formula C31H25N and a molecular weight of 411.55 g/mol. Its IUPAC name is N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
PubChem CID102513812
Molecular FormulaC31H25N
Molecular Weight411.55 g/mol
Exact Mass411.20
IUPAC NameN-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCN(C1c2ccccc2C=Cc2ccccc21)C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C31H25N/c1-32(30-26-14-6-2-10-22(26)18-19-23-11-3-7-15-27(23)30)31-28-16-8-4-12-24(28)20-21-25-13-5-9-17-29(25)31/h2-21,30-31H,1H3
InChIKeyOJSGQWIUYYDQCJ-UHFFFAOYSA-N
XLogP7.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine with MolForge

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Related Compounds

N',N'-dimethyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)ethane-1,2-diamine
CID 171986586
N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 101001196
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
CID 10641
N-[dimethylamino(1H-inden-1-yl)boranyl]-N-methylmethanamine
CID 15872798
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide
CID 134123539
ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 67954177
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 98521083
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
ethane;(2Z)-10-methyltricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene
CID 156719082
bis(1H-inden-1-yl)-dimethylsilane
CID 599429

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The IUPAC name of N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (CID 102513812) is N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.
What is the SMILES notation for N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The canonical SMILES for N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is CN(C1c2ccccc2C=Cc2ccccc21)C1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The InChIKey is OJSGQWIUYYDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N/c1-32(30-26-14-6-2-10-22(26)18-19-23-11-3-7-15-27(23)30)31-28-16-8-4-12-24(28)20-21-25-13-5-9-17-29(25)31/h2-21,30-31H,1H3.
What are the key properties of N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine has a molecular weight of 411.55 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is sourced from PubChem (CID 102513812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).