N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine

C11H19N3 — CID 43563175

IUPACN'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
SMILESCN(CCCCN)Cc1cccnc1
InChIInChI=1S/C11H19N3/c1-14(8-3-2-6-12)10-11-5-4-7-13-9-11/h4-5,7,9H,2-3,6,8,10,12H2,1H3
InChIKeyTTZJUCZACAMSON-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.25
Rot. Bonds6

About N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine

N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine (PubChem CID 43563175) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
PubChem CID43563175
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
SMILESCN(CCCCN)Cc1cccnc1
InChIInChI=1S/C11H19N3/c1-14(8-3-2-6-12)10-11-5-4-7-13-9-11/h4-5,7,9H,2-3,6,8,10,12H2,1H3
InChIKeyTTZJUCZACAMSON-UHFFFAOYSA-N
XLogP1.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.25
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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Related Compounds

3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
[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
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N'-methyl-N'-(pyridin-3-ylmethyl)but-2-ene-1,4-diamine
CID 77110305
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
2-ethoxy-N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 63071613
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
1-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677725

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine (CID 43563175) is N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine is CN(CCCCN)Cc1cccnc1.
What is the InChIKey of N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine?
The InChIKey is TTZJUCZACAMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(8-3-2-6-12)10-11-5-4-7-13-9-11/h4-5,7,9H,2-3,6,8,10,12H2,1H3.
What are the key properties of N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine?
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.25, 6 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)butane-1,4-diamine is sourced from PubChem (CID 43563175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).