N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine

C19H23N3 — CID 13464016

IUPACN',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine
SMILESCC1=Cc2ccncc2C(NCCN(C)C)c2ccccc21
InChIInChI=1S/C19H23N3/c1-14-12-15-8-9-20-13-18(15)19(21-10-11-22(2)3)17-7-5-4-6-16(14)17/h4-9,12-13,19,21H,10-11H2,1-3H3
InChIKeyKMZQGAUCZZOOQJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.20
Rot. Bonds4

About N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine (PubChem CID 13464016) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine
PubChem CID13464016
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC NameN',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine
SMILESCC1=Cc2ccncc2C(NCCN(C)C)c2ccccc21
InChIInChI=1S/C19H23N3/c1-14-12-15-8-9-20-13-18(15)19(21-10-11-22(2)3)17-7-5-4-6-16(14)17/h4-9,12-13,19,21H,10-11H2,1-3H3
InChIKeyKMZQGAUCZZOOQJ-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine (CID 13464016) is N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine is CC1=Cc2ccncc2C(NCCN(C)C)c2ccccc21.
What is the InChIKey of N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine?
The InChIKey is KMZQGAUCZZOOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-14-12-15-8-9-20-13-18(15)19(21-10-11-22(2)3)17-7-5-4-6-16(14)17/h4-9,12-13,19,21H,10-11H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine has a molecular weight of 293.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(10-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 13464016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).