N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine

C20H29N3OS — CID 10338530

IUPACN-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1)C1=NCCN1
InChIInChI=1S/C20H29N3OS/c1-23(19-21-12-13-22-19)14-18-15-25-20(24-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3,(H,21,22)/t18-,20+/m1/s1
InChIKeyZKXXZYQRJVNXFK-QUCCMNQESA-N
MW359.54 g/mol
LogP3.44
Rot. Bonds4

About N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 10338530) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID10338530
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC NameN-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCN(C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1)C1=NCCN1
InChIInChI=1S/C20H29N3OS/c1-23(19-21-12-13-22-19)14-18-15-25-20(24-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3,(H,21,22)/t18-,20+/m1/s1
InChIKeyZKXXZYQRJVNXFK-QUCCMNQESA-N
XLogP3.44
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106635602
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine
CID 114400565
N-ethyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106632658
(2R)-2-(2-phenyl-1,3-dioxan-2-yl)piperidine
CID 125497415
N-cyclopropyl-N-(piperidin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400593
N-(2-bromophenyl)-N-(cyclopropylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 12674643
[(2S,6S)-6-cyclohexyl-6-phenyl-1,4-dioxan-2-yl]methyl-trimethylazanium
CID 46188794
(1S,8S)-10,10-diphenyl-9-oxabicyclo[6.2.0]decane
CID 101105707
[5-(hydroxymethyl)-2-phenyl-2-[(2R)-piperidin-2-yl]-1,3-dioxan-5-yl]methanol
CID 125479548
1-(2-cyclohexyl-2-phenyl-1,3-dioxan-5-yl)piperidine;hydrochloride
CID 3052092
1-(2-methoxy-2-phenylcyclohexyl)-N,N-dimethylmethanamine
CID 23497852
(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one
CID 59885970

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 10338530) is N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine is CN(C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1)C1=NCCN1.
What is the InChIKey of N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ZKXXZYQRJVNXFK-QUCCMNQESA-N. The full InChI is InChI=1S/C20H29N3OS/c1-23(19-21-12-13-22-19)14-18-15-25-20(24-18,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3,(H,21,22)/t18-,20+/m1/s1.
What are the key properties of N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 359.54 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]methyl]-N-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 10338530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).