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

C13H23N3OS — CID 65140494

IUPACN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(CSC2CCCC2)[nH]1
InChIInChI=1S/C13H23N3OS/c1-17-7-6-14-8-11-9-15-13(16-11)10-18-12-4-2-3-5-12/h9,12,14H,2-8,10H2,1H3,(H,15,16)
InChIKeyNLCOIQGWDUGAOX-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.32
Rot. Bonds8

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

N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 65140494) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID65140494
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(CSC2CCCC2)[nH]1
InChIInChI=1S/C13H23N3OS/c1-17-7-6-14-8-11-9-15-13(16-11)10-18-12-4-2-3-5-12/h9,12,14H,2-8,10H2,1H3,(H,15,16)
InChIKeyNLCOIQGWDUGAOX-UHFFFAOYSA-N
XLogP2.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(cyclohexylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65144469
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65140493
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 65140442
2-methoxy-N-[(2-propyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63109492
N-[[2-(tert-butylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65137664
N-[[2-[(4-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 66057320
N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109629
2-methoxy-N-[[2-(1-methoxycycloheptyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116779879
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63109514
2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116732229
N-[[2-(3-methoxypropyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 65093739
N-[(2-propyl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63108587

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine (CID 65140494) is N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(CSC2CCCC2)[nH]1.
What is the InChIKey of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is NLCOIQGWDUGAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-17-7-6-14-8-11-9-15-13(16-11)10-18-12-4-2-3-5-12/h9,12,14H,2-8,10H2,1H3,(H,15,16).
What are the key properties of N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65140494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).