N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine

C14H25N3S — CID 65140493

IUPACN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(CSC2CCCC2)[nH]1
InChIInChI=1S/C14H25N3S/c1-11(2)7-15-8-12-9-16-14(17-12)10-18-13-5-3-4-6-13/h9,11,13,15H,3-8,10H2,1-2H3,(H,16,17)
InChIKeyPJPARTYHZZOZJK-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.33
Rot. Bonds7

About N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65140493) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65140493
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(CSC2CCCC2)[nH]1
InChIInChI=1S/C14H25N3S/c1-11(2)7-15-8-12-9-16-14(17-12)10-18-13-5-3-4-6-13/h9,11,13,15H,3-8,10H2,1-2H3,(H,16,17)
InChIKeyPJPARTYHZZOZJK-UHFFFAOYSA-N
XLogP3.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (CID 65140493) is N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(CSC2CCCC2)[nH]1.
What is the InChIKey of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PJPARTYHZZOZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-11(2)7-15-8-12-9-16-14(17-12)10-18-13-5-3-4-6-13/h9,11,13,15H,3-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65140493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).