2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C10H19N3S — CID 63109029

IUPAC2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCSCc1ncc(CNC(C)(C)C)[nH]1
InChIInChI=1S/C10H19N3S/c1-10(2,3)12-6-8-5-11-9(13-8)7-14-4/h5,12H,6-7H2,1-4H3,(H,11,13)
InChIKeyULXCOWIZOGILEA-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.16
Rot. Bonds4

About 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 63109029) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID63109029
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCSCc1ncc(CNC(C)(C)C)[nH]1
InChIInChI=1S/C10H19N3S/c1-10(2,3)12-6-8-5-11-9(13-8)7-14-4/h5,12H,6-7H2,1-4H3,(H,11,13)
InChIKeyULXCOWIZOGILEA-UHFFFAOYSA-N
XLogP2.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109014
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109067
N-[[2-[2-(diethylamino)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63109005
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796
N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55176708
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 103150869
2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109062
1-[2-(ethylsulfanylmethyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 65129902
N-[[2-(tert-butylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65137664
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113398748
N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107918177
N-[[2-(1-methoxycyclopentyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113432918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 63109029) is 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CSCc1ncc(CNC(C)(C)C)[nH]1.
What is the InChIKey of 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is ULXCOWIZOGILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-10(2,3)12-6-8-5-11-9(13-8)7-14-4/h5,12H,6-7H2,1-4H3,(H,11,13).
What are the key properties of 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63109029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).