(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine

C25H35NO3 — CID 70586172

IUPAC(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine
SMILESCCCCCO[C@H]1[C@H](NC)[C@@H](OCc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C25H35NO3/c1-3-4-11-16-27-25-23(29-19-21-14-9-6-10-15-21)17-22(24(25)26-2)28-18-20-12-7-5-8-13-20/h5-10,12-15,22-26H,3-4,11,16-19H2,1-2H3/t22-,23+,24+,25+/m0/s1
InChIKeyQUGAEVDTLUWDLN-ZYQDXHPFSA-N
MW397.56 g/mol
LogP4.72
Rot. Bonds12

About (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine

(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine (PubChem CID 70586172) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine
PubChem CID70586172
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine
SMILESCCCCCO[C@H]1[C@H](NC)[C@@H](OCc2ccccc2)C[C@H]1OCc1ccccc1
InChIInChI=1S/C25H35NO3/c1-3-4-11-16-27-25-23(29-19-21-14-9-6-10-15-21)17-22(24(25)26-2)28-18-20-12-7-5-8-13-20/h5-10,12-15,22-26H,3-4,11,16-19H2,1-2H3/t22-,23+,24+,25+/m0/s1
InChIKeyQUGAEVDTLUWDLN-ZYQDXHPFSA-N
XLogP4.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,3R,5S)-2-heptoxy-N-methyl-N-nonyl-3,5-bis(phenylmethoxy)cyclopentan-1-amine
CID 70583794
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 121434659
(2R,3R,4S,5R)-2-decoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102422537
ethyl 6-[methyl-[(1S,2R,3S,5R)-2-octoxy-3,5-bis(phenylmethoxy)cyclopentyl]amino]hexanoate
CID 70583302
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
dodecylperoxymethylbenzene
CID 88509810
(4R,5R)-2-octadecoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102410238
dibenzyl [(1S,2R,4S,6R)-2,4-bis(phenylmethoxy)-6-propoxycyclohexyl] phosphate
CID 15265960
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(2R,3R,4S,5R,6R)-2-hexadecoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10259591

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine?
The IUPAC name of (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine (CID 70586172) is (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine.
What is the SMILES notation for (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine?
The canonical SMILES for (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine is CCCCCO[C@H]1[C@H](NC)[C@@H](OCc2ccccc2)C[C@H]1OCc1ccccc1.
What is the InChIKey of (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine?
The InChIKey is QUGAEVDTLUWDLN-ZYQDXHPFSA-N. The full InChI is InChI=1S/C25H35NO3/c1-3-4-11-16-27-25-23(29-19-21-14-9-6-10-15-21)17-22(24(25)26-2)28-18-20-12-7-5-8-13-20/h5-10,12-15,22-26H,3-4,11,16-19H2,1-2H3/t22-,23+,24+,25+/m0/s1.
What are the key properties of (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine?
(1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine has a molecular weight of 397.56 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-N-methyl-2-pentoxy-3,5-bis(phenylmethoxy)cyclopentan-1-amine is sourced from PubChem (CID 70586172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).