N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine

C18H27N3OS — CID 131925371

IUPACN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine
SMILESCOCCn1ccnc1CN(Cc1ccsc1)C1CCCCC1
InChIInChI=1S/C18H27N3OS/c1-22-11-10-20-9-8-19-18(20)14-21(13-16-7-12-23-15-16)17-5-3-2-4-6-17/h7-9,12,15,17H,2-6,10-11,13-14H2,1H3
InChIKeyBBMNMEFNICYKRD-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.93
Rot. Bonds8

About N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine

N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine (PubChem CID 131925371) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine
PubChem CID131925371
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine
SMILESCOCCn1ccnc1CN(Cc1ccsc1)C1CCCCC1
InChIInChI=1S/C18H27N3OS/c1-22-11-10-20-9-8-19-18(20)14-21(13-16-7-12-23-15-16)17-5-3-2-4-6-17/h7-9,12,15,17H,2-6,10-11,13-14H2,1H3
InChIKeyBBMNMEFNICYKRD-UHFFFAOYSA-N
XLogP3.93
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine (CID 131925371) is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine is COCCn1ccnc1CN(Cc1ccsc1)C1CCCCC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine?
The InChIKey is BBMNMEFNICYKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-22-11-10-20-9-8-19-18(20)14-21(13-16-7-12-23-15-16)17-5-3-2-4-6-17/h7-9,12,15,17H,2-6,10-11,13-14H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine?
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine has a molecular weight of 333.50 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclohexanamine is sourced from PubChem (CID 131925371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).