N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine

C10H19N3 — CID 89141803

IUPACN-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC1C=NC=CC1
InChIInChI=1S/C10H19N3/c1-13(2)7-6-12-9-10-4-3-5-11-8-10/h3,5,8,10,12H,4,6-7,9H2,1-2H3
InChIKeyYRUMKRMXWRILPL-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.74
Rot. Bonds5

About N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine

N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 89141803) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID89141803
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC1C=NC=CC1
InChIInChI=1S/C10H19N3/c1-13(2)7-6-12-9-10-4-3-5-11-8-10/h3,5,8,10,12H,4,6-7,9H2,1-2H3
InChIKeyYRUMKRMXWRILPL-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine (CID 89141803) is N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCC1C=NC=CC1.
What is the InChIKey of N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YRUMKRMXWRILPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-13(2)7-6-12-9-10-4-3-5-11-8-10/h3,5,8,10,12H,4,6-7,9H2,1-2H3.
What are the key properties of N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine?
N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-3-ylmethyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 89141803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).