N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine

C9H17N3 — CID 19041019

IUPACN-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1C=CC=CN1
InChIInChI=1S/C9H17N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-6,9-11H,7-8H2,1-2H3
InChIKeyIIINIHWSWKNUDD-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.14
Rot. Bonds4

About N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine

N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 19041019) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID19041019
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1C=CC=CN1
InChIInChI=1S/C9H17N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-6,9-11H,7-8H2,1-2H3
InChIKeyIIINIHWSWKNUDD-UHFFFAOYSA-N
XLogP0.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 19041019) is N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1C=CC=CN1.
What is the InChIKey of N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is IIINIHWSWKNUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-12(2)8-7-11-9-5-3-4-6-10-9/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 19041019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).