N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine

C12H22N4S — CID 112661194

IUPACN-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine
SMILESCSCC(C)N(C)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H22N4S/c1-9(7-17-3)16(2)6-10-4-11-12(5-13-10)15-8-14-11/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyFJCFNGJKOBMXNM-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.11
Rot. Bonds5

About N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine

N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine (PubChem CID 112661194) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine
PubChem CID112661194
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC NameN-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine
SMILESCSCC(C)N(C)CC1Cc2nc[nH]c2CN1
InChIInChI=1S/C12H22N4S/c1-9(7-17-3)16(2)6-10-4-11-12(5-13-10)15-8-14-11/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyFJCFNGJKOBMXNM-UHFFFAOYSA-N
XLogP1.11
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine with MolForge

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Related Compounds

5H-Imidazo(4,5-c)pyridine-5-carbothioamide, 1,4,6,7-tetrahydro-1,4-diethyl-N-(1-methylethyl)-
CID 3054005
5-Butylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 53145325
5-[(1-methyl-1H-imidazol-5-yl)methyl]-4-[2-(methylthio)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 56717328
Spinaceamine
CID 410112
6-methyl-1H,4H,5H,6H,7H-imidazo(4,5-c)pyridine dihydrochloride
CID 162342543
4-methyl-4-[2-(methylthio)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 50979370
6-(Trifluoromethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-C]pyridine
CID 21782453
4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 21782454
6-methyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
CID 68873241
5-Methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 322630
Imidazoloquinolizidine
CID 129824282
(6S)-4,6-bis(trifluoromethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 10106599

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine?
The IUPAC name of N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine (CID 112661194) is N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine.
What is the SMILES notation for N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine?
The canonical SMILES for N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine is CSCC(C)N(C)CC1Cc2nc[nH]c2CN1.
What is the InChIKey of N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine?
The InChIKey is FJCFNGJKOBMXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(7-17-3)16(2)6-10-4-11-12(5-13-10)15-8-14-11/h8-10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine?
N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)propan-2-amine is sourced from PubChem (CID 112661194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).