N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine

C19H27N3S — CID 101120359

IUPACN,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine
SMILESCc1cccc(CN(CCSC(C)C)Cc2cccc(C)n2)n1
InChIInChI=1S/C19H27N3S/c1-15(2)23-12-11-22(13-18-9-5-7-16(3)20-18)14-19-10-6-8-17(4)21-19/h5-10,15H,11-14H2,1-4H3
InChIKeyKIKPPLYTPJPLCE-UHFFFAOYSA-N
MW329.51 g/mol
LogP4.24
Rot. Bonds8

About N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine

N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine (PubChem CID 101120359) has the molecular formula C19H27N3S and a molecular weight of 329.51 g/mol. Its IUPAC name is N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine
PubChem CID101120359
Molecular FormulaC19H27N3S
Molecular Weight329.51 g/mol
Exact Mass329.19
IUPAC NameN,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine
SMILESCc1cccc(CN(CCSC(C)C)Cc2cccc(C)n2)n1
InChIInChI=1S/C19H27N3S/c1-15(2)23-12-11-22(13-18-9-5-7-16(3)20-18)14-19-10-6-8-17(4)21-19/h5-10,15H,11-14H2,1-4H3
InChIKeyKIKPPLYTPJPLCE-UHFFFAOYSA-N
XLogP4.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
1,4-bis[bis[(6-methyl-2-pyridinyl)methyl]amino]butan-2-ol
CID 100917591
N,N'-dibenzyl-N-[3-[benzyl-[(6-methyl-2-pyridinyl)methyl]amino]propyl]-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 102022894
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
1-[3-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis[(6-methyl-2-pyridinyl)methyl]methanamine
CID 11607609
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanol
CID 78996621
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79260631
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 107494419
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine?
The IUPAC name of N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine (CID 101120359) is N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine is Cc1cccc(CN(CCSC(C)C)Cc2cccc(C)n2)n1.
What is the InChIKey of N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine?
The InChIKey is KIKPPLYTPJPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3S/c1-15(2)23-12-11-22(13-18-9-5-7-16(3)20-18)14-19-10-6-8-17(4)21-19/h5-10,15H,11-14H2,1-4H3.
What are the key properties of N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine?
N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine has a molecular weight of 329.51 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 101120359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).