N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine

C11H17N3 — CID 77110305

IUPACN'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine
SMILESCN(CC=CCN)Cc1cccnc1
InChIInChI=1S/C11H17N3/c1-14(8-3-2-6-12)10-11-5-4-7-13-9-11/h2-5,7,9H,6,8,10,12H2,1H3
InChIKeyORCBDEZEGCMSKA-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.03
Rot. Bonds5

About N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine

N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine (PubChem CID 77110305) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine
PubChem CID77110305
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine
SMILESCN(CC=CCN)Cc1cccnc1
InChIInChI=1S/C11H17N3/c1-14(8-3-2-6-12)10-11-5-4-7-13-9-11/h2-5,7,9H,6,8,10,12H2,1H3
InChIKeyORCBDEZEGCMSKA-UHFFFAOYSA-N
XLogP1.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
N'-[(3-methoxyphenyl)methyl]-N'-methylbut-2-ene-1,4-diamine
CID 77110782
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
CID 174532487
CID 174532487
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
2-ethyl-2-[[methyl(pyridin-3-ylmethyl)amino]methyl]butanal
CID 62276200
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine?
The IUPAC name of N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine (CID 77110305) is N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine is CN(CC=CCN)Cc1cccnc1.
What is the InChIKey of N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine?
The InChIKey is ORCBDEZEGCMSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14(8-3-2-6-12)10-11-5-4-7-13-9-11/h2-5,7,9H,6,8,10,12H2,1H3.
What are the key properties of N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine?
N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine is sourced from PubChem (CID 77110305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).