N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine

C11H15N3 — CID 130649548

IUPACN'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine
SMILESCN(CC#Cc1cccnc1)CCN
InChIInChI=1S/C11H15N3/c1-14(9-6-12)8-3-5-11-4-2-7-13-10-11/h2,4,7,10H,6,8-9,12H2,1H3
InChIKeyOFRRFBVLZPEQJL-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.32
Rot. Bonds3

About N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine

N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine (PubChem CID 130649548) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine
PubChem CID130649548
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC NameN'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine
SMILESCN(CC#Cc1cccnc1)CCN
InChIInChI=1S/C11H15N3/c1-14(9-6-12)8-3-5-11-4-2-7-13-10-11/h2,4,7,10H,6,8-9,12H2,1H3
InChIKeyOFRRFBVLZPEQJL-UHFFFAOYSA-N
XLogP0.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-propyl-3-pyridin-3-ylprop-2-yn-1-amine
CID 10631478
5-pyridin-3-ylpent-4-yn-1-ol
CID 10797061
3-[2-(4-methylphenyl)ethynyl]pyridine
CID 11252533
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
5-(3-aminoprop-1-ynyl)-N,2-dimethyl-N-pyridin-3-ylbenzamide
CID 65309932
3-[2-[4-[4-(2-pyridin-3-ylethynyl)phenyl]phenyl]ethynyl]pyridine
CID 71527861
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
12-pyridin-3-yldodec-11-yn-2-ol
CID 11207673
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
4-pyridin-3-ylbut-3-yn-2-ol
CID 11147806
3-[2-(3-methylphenyl)ethynyl]pyridine
CID 67047652
ethane;3-ethynylpyridine
CID 143766952

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine (CID 130649548) is N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine is CN(CC#Cc1cccnc1)CCN.
What is the InChIKey of N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine?
The InChIKey is OFRRFBVLZPEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-14(9-6-12)8-3-5-11-4-2-7-13-10-11/h2,4,7,10H,6,8-9,12H2,1H3.
What are the key properties of N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine?
N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine has a molecular weight of 189.26 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-pyridin-3-ylprop-2-ynyl)ethane-1,2-diamine is sourced from PubChem (CID 130649548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).