N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

C10H19N3 — CID 142275858

IUPACN'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1=CC=NCC1
InChIInChI=1S/C10H19N3/c1-12(2)8-9-13(3)10-4-6-11-7-5-10/h4,6H,5,7-9H2,1-3H3
InChIKeyMHQWMSBHSCKOTI-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.84
Rot. Bonds4

About N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 142275858) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID142275858
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1=CC=NCC1
InChIInChI=1S/C10H19N3/c1-12(2)8-9-13(3)10-4-6-11-7-5-10/h4,6H,5,7-9H2,1-3H3
InChIKeyMHQWMSBHSCKOTI-UHFFFAOYSA-N
XLogP0.84
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-fluoro-N,N-dipropyl-2,3-dihydropyridin-4-amine
CID 155454735
N,N-dimethyl-2,3-dihydropyridin-4-amine
CID 53922584
2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
CID 58229508
1-(1-methyl-2,3-dihydropyrrol-5-yl)-N-[2-[(1-methyl-2,3-dihydropyrrol-5-yl)methylideneamino]ethyl]methanimine
CID 68976138
2-(3,4-dihydropyridin-6-yl)-N,N-dimethylethanamine
CID 70372271
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine
CID 123608772
(Z)-N,N,4-trimethyl-1-methyliminopent-2-en-3-amine
CID 139439539
N,1-dimethyl-5-(prop-2-enylideneamino)-3,6-dihydro-2H-pyridin-4-amine
CID 144594832
1,2-Dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine;ethane
CID 144955040
N'-(2,3-dihydropyridin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 145601383
2,3,4-triethyl-1-methyl-2H-pyrimidin-1-ium
CID 150648797

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 142275858) is N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1=CC=NCC1.
What is the InChIKey of N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is MHQWMSBHSCKOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-12(2)8-9-13(3)10-4-6-11-7-5-10/h4,6H,5,7-9H2,1-3H3.
What are the key properties of N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydropyridin-4-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 142275858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).