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

C17H17N — CID 154303446

IUPACN,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCNC1(C)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C17H17N/c1-17(18-2)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-12,18H,1-2H3
InChIKeyYTZRWIMFBOOWJU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.65
Rot. Bonds1

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

N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (PubChem CID 154303446) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.

Molecular Properties

Compound NameN,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
PubChem CID154303446
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCNC1(C)c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C17H17N/c1-17(18-2)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-12,18H,1-2H3
InChIKeyYTZRWIMFBOOWJU-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-6-methoxy-2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]hydroxylamine
CID 125494447
1-methyl-1-trimethylsilyloxynaphthalen-2-one
CID 10800462
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxylic acid
CID 134096624
2,6-bis(1-methylinden-1-yl)pyridine
CID 139415880
[2-(hydroxymethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl]methanol
CID 18626557
(2R)-5-amino-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
CID 125494388
5,5,6-trimethylbenzo[7]annulene
CID 144827582
dichloro-(1-methylinden-1-yl)borane
CID 135083238
1,1,3,3-tetramethylspiro[cyclobutane-2,1'-indene]
CID 58564330
(1S)-1-iodo-1-methyl-2H-naphthalene
CID 70994491
3'-acetyl-3'-methylspiro[naphthalene-1,2'-oxirane]-2-one
CID 603721
2-[2-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134854080

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The IUPAC name of N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (CID 154303446) is N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.
What is the SMILES notation for N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The canonical SMILES for N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is CNC1(C)c2ccccc2C=Cc2ccccc21.
What is the InChIKey of N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The InChIKey is YTZRWIMFBOOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-17(18-2)15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)17/h3-12,18H,1-2H3.
What are the key properties of N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine has a molecular weight of 235.33 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is sourced from PubChem (CID 154303446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).