3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine

C11H19N3 — CID 60914164

IUPAC3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCN)N(C)Cc1ccccn1
InChIInChI=1S/C11H19N3/c1-10(6-7-12)14(2)9-11-5-3-4-8-13-11/h3-5,8,10H,6-7,9,12H2,1-2H3
InChIKeyQMLCSCCABLRVFX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.25
Rot. Bonds5

About 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine

3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine (PubChem CID 60914164) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
PubChem CID60914164
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
SMILESCC(CCN)N(C)Cc1ccccn1
InChIInChI=1S/C11H19N3/c1-10(6-7-12)14(2)9-11-5-3-4-8-13-11/h3-5,8,10H,6-7,9,12H2,1-2H3
InChIKeyQMLCSCCABLRVFX-UHFFFAOYSA-N
XLogP1.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 55089385
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979
3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
CID 63225574
3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine (CID 60914164) is 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine is CC(CCN)N(C)Cc1ccccn1.
What is the InChIKey of 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine?
The InChIKey is QMLCSCCABLRVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(6-7-12)14(2)9-11-5-3-4-8-13-11/h3-5,8,10H,6-7,9,12H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine?
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 60914164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).