N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine

C16H23N3 — CID 142517679

IUPACN',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine
SMILESCN(C)CCNC1(C)C=CC(c2ccccn2)=CC1
InChIInChI=1S/C16H23N3/c1-16(18-12-13-19(2)3)9-7-14(8-10-16)15-6-4-5-11-17-15/h4-9,11,18H,10,12-13H2,1-3H3
InChIKeyKLCRRUSJTOVBTD-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.33
Rot. Bonds5

About N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine (PubChem CID 142517679) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine
PubChem CID142517679
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine
SMILESCN(C)CCNC1(C)C=CC(c2ccccn2)=CC1
InChIInChI=1S/C16H23N3/c1-16(18-12-13-19(2)3)9-7-14(8-10-16)15-6-4-5-11-17-15/h4-9,11,18H,10,12-13H2,1-3H3
InChIKeyKLCRRUSJTOVBTD-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine with MolForge

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Related Compounds

2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine
CID 163498607
2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine
CID 142517378
N',N'-dimethyl-N-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 130251282
2-[2-(dimethylamino)ethoxy]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103080818
pyrrolo[3,2-b]azepine
CID 66934182
N-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647680
propane;2-pyridin-2-ylpyridine
CID 158168510
[4-[2-(dimethylamino)ethylamino]-2,2-dimethyl-3H-chromen-4-yl]methanol
CID 81142034
N-[2-(dimethylamino)ethyl]-4-(2-pyridin-2-ylphenyl)piperazine-1-carboxamide
CID 102056903
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650
N-[3-(dimethylamino)propyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647739
1-N-[2-(dimethylamino)ethyl]-1-N'-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973418

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine (CID 142517679) is N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine is CN(C)CCNC1(C)C=CC(c2ccccn2)=CC1.
What is the InChIKey of N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine?
The InChIKey is KLCRRUSJTOVBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(18-12-13-19(2)3)9-7-14(8-10-16)15-6-4-5-11-17-15/h4-9,11,18H,10,12-13H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 142517679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).