N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine

C16H29N3S — CID 115987705

IUPACN-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCC(CSC)N(C)c1cc(CNCC(C)C)ccn1
InChIInChI=1S/C16H29N3S/c1-6-15(12-20-5)19(4)16-9-14(7-8-18-16)11-17-10-13(2)3/h7-9,13,15,17H,6,10-12H2,1-5H3
InChIKeyFSPVQHHSLNQRBU-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.40
Rot. Bonds9

About N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine

N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine (PubChem CID 115987705) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
PubChem CID115987705
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCCC(CSC)N(C)c1cc(CNCC(C)C)ccn1
InChIInChI=1S/C16H29N3S/c1-6-15(12-20-5)19(4)16-9-14(7-8-18-16)11-17-10-13(2)3/h7-9,13,15,17H,6,10-12H2,1-5H3
InChIKeyFSPVQHHSLNQRBU-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[methyl(1-methylsulfanylbutan-2-yl)amino]-4-pyridinyl]ethanol
CID 103955147
N-methyl-4-(methylaminomethyl)-N-pentan-3-ylpyridin-2-amine
CID 62284119
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390310
N-methyl-N-propan-2-yl-4-(propylaminomethyl)pyridin-2-amine
CID 62284795
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 62281991
N-methyl-4-[(2-methylpropylamino)methyl]-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62282252
N-methyl-4-[(2-methylpropylamino)methyl]-N-phenylpyridin-2-amine
CID 62286623
N-cyclopentyl-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62280559
N,N,N'-trimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 63699684
N'-ethyl-N,N-dimethyl-N'-[4-[(2-methylpropylamino)methyl]-2-pyridinyl]propane-1,3-diamine
CID 102997386
4-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62284039
N-ethyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294097

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The IUPAC name of N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine (CID 115987705) is N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine is CCC(CSC)N(C)c1cc(CNCC(C)C)ccn1.
What is the InChIKey of N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
The InChIKey is FSPVQHHSLNQRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-15(12-20-5)19(4)16-9-14(7-8-18-16)11-17-10-13(2)3/h7-9,13,15,17H,6,10-12H2,1-5H3.
What are the key properties of N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine?
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 115987705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).