N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine

C20H22N2 — CID 21483800

IUPACN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine
SMILESCN(C)CCCN=c1c2ccccc2ccc2ccccc12
InChIInChI=1S/C20H22N2/c1-22(2)15-7-14-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13H,7,14-15H2,1-2H3
InChIKeyPZBSZXAUFAPJOL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.85
Rot. Bonds4

About N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine

N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine (PubChem CID 21483800) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine
PubChem CID21483800
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC NameN,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine
SMILESCN(C)CCCN=c1c2ccccc2ccc2ccccc12
InChIInChI=1S/C20H22N2/c1-22(2)15-7-14-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13H,7,14-15H2,1-2H3
InChIKeyPZBSZXAUFAPJOL-UHFFFAOYSA-N
XLogP3.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine (CID 21483800) is N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine is CN(C)CCCN=c1c2ccccc2ccc2ccccc12.
What is the InChIKey of N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine?
The InChIKey is PZBSZXAUFAPJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-22(2)15-7-14-21-20-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13H,7,14-15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine?
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)propan-1-amine is sourced from PubChem (CID 21483800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).