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

C19H22N2 — CID 171986586

IUPACN',N'-dimethyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)ethane-1,2-diamine
SMILESCN(C)CCNC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C19H22N2/c1-21(2)14-13-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-12,19-20H,13-14H2,1-2H3
InChIKeyLXJIPBQNIDCDOL-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.41
Rot. Bonds4

About 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

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 (PubChem CID 171986586) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)ethane-1,2-diamine
PubChem CID171986586
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN',N'-dimethyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)ethane-1,2-diamine
SMILESCN(C)CCNC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C19H22N2/c1-21(2)14-13-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-12,19-20H,13-14H2,1-2H3
InChIKeyLXJIPBQNIDCDOL-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)CCNC1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 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?
The InChIKey is LXJIPBQNIDCDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-21(2)14-13-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-12,19-20H,13-14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 278.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171986586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).