N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine

C10H19N3 — CID 126708180

IUPACN'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC1=NCCC=C1
InChIInChI=1S/C10H19N3/c1-11-7-8-13(2)9-10-5-3-4-6-12-10/h3,5,11H,4,6-9H2,1-2H3
InChIKeyOBCVFRWNUZSCIX-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.54
Rot. Bonds5

About N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine

N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 126708180) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID126708180
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)CC1=NCCC=C1
InChIInChI=1S/C10H19N3/c1-11-7-8-13(2)9-10-5-3-4-6-12-10/h3,5,11H,4,6-9H2,1-2H3
InChIKeyOBCVFRWNUZSCIX-UHFFFAOYSA-N
XLogP0.54
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine
CID 154023825
1,5,8,12-Tetraza-15-azoniatricyclo[12.7.1.015,20]docosa-15(20),18-diene
CID 20700177
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659
N-(2-(N,N-dimethylamino)ethyl)-4-(2-(N,N-dimethylamino)ethylimino)-2-penten-2-amine
CID 86643204
N-[(Z)-4-[2-(dimethylamino)ethylimino]pent-2-en-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 87437605
(Z)-4-[2-(dimethylamino)ethylimino]-N-propan-2-ylpent-2-en-2-amine
CID 101561717
N-ethyl-4-ethyliminocyclohexa-2,5-dien-1-amine
CID 118199222
(Z)-1-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)prop-1-en-2-amine
CID 118423086
2-imino-N-(2-iminopent-3-enyl)pent-3-en-1-amine
CID 123169571
N'-ethyl-N'-(2-imino-5-methylhexa-3,5-dienyl)ethane-1,2-diamine
CID 123209322
2-(3-imino-2,6-dihydropyridin-1-yl)-N,N-dimethylethanamine
CID 123382111
2-(cyclohex-2-en-1-ylideneamino)-N-methylethanamine
CID 123408588

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine (CID 126708180) is N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)CC1=NCCC=C1.
What is the InChIKey of N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is OBCVFRWNUZSCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-11-7-8-13(2)9-10-5-3-4-6-12-10/h3,5,11H,4,6-9H2,1-2H3.
What are the key properties of N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydropyridin-6-ylmethyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 126708180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).