N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine

C15H21N3S — CID 62278910

IUPACN-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCC(C)NCc1cccnc1N(C)Cc1ccsc1
InChIInChI=1S/C15H21N3S/c1-12(2)17-9-14-5-4-7-16-15(14)18(3)10-13-6-8-19-11-13/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyTWCXNFRFWKDXKM-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.28
Rot. Bonds6

About N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine

N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 62278910) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID62278910
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCC(C)NCc1cccnc1N(C)Cc1ccsc1
InChIInChI=1S/C15H21N3S/c1-12(2)17-9-14-5-4-7-16-15(14)18(3)10-13-6-8-19-11-13/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyTWCXNFRFWKDXKM-UHFFFAOYSA-N
XLogP3.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278909
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280566
N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283788
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279942
N,4,6-trimethyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62279603
N-(3-methoxypropyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63007756
4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055137
N-(quinolin-8-ylmethyl)-1-thiophen-3-ylpropan-2-amine
CID 61222089
N-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282140
N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
CID 63059318
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63274229
N-[[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62421015

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 62278910) is N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine is CC(C)NCc1cccnc1N(C)Cc1ccsc1.
What is the InChIKey of N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is TWCXNFRFWKDXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12(2)17-9-14-5-4-7-16-15(14)18(3)10-13-6-8-19-11-13/h4-8,11-12,17H,9-10H2,1-3H3.
What are the key properties of N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine?
N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62278910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).