N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine

C15H20N2S — CID 50980902

IUPACN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESCCC(C)N(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C15H20N2S/c1-3-13(2)17(11-15-6-8-18-12-15)10-14-5-4-7-16-9-14/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyZVGAFHPAWVCKAB-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.94
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine

N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine (PubChem CID 50980902) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
PubChem CID50980902
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESCCC(C)N(Cc1cccnc1)Cc1ccsc1
InChIInChI=1S/C15H20N2S/c1-3-13(2)17(11-15-6-8-18-12-15)10-14-5-4-7-16-9-14/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyZVGAFHPAWVCKAB-UHFFFAOYSA-N
XLogP3.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1,3-thiazol-4-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 124855434
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991
2-[pentan-3-yl(pyridin-3-ylmethyl)amino]ethanol
CID 62013906
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
N-(1H-imidazol-2-ylmethyl)-1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine
CID 46987735
1-pyridin-3-yl-N-(thiophen-3-ylmethyl)methanamine;dihydrochloride
CID 163328741
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
(2R)-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
CID 94600630
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 42682271
(2R)-N,2-dipyridin-3-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129402819
3-ethylpyridine
CID 10823
3-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-1-(pyridin-3-ylmethyl)-1-(thiophen-3-ylmethyl)urea
CID 97280028

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine (CID 50980902) is N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine is CCC(C)N(Cc1cccnc1)Cc1ccsc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The InChIKey is ZVGAFHPAWVCKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-3-13(2)17(11-15-6-8-18-12-15)10-14-5-4-7-16-9-14/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine?
N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 50980902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).