N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine

C26H41N3O3 — CID 123212880

IUPACN-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine
SMILESCC1CCCN1CCCOc1ccc(C(CN2CCOCC2)=NOC2CCCCC2)cc1
InChIInChI=1S/C26H41N3O3/c1-22-7-5-14-29(22)15-6-18-31-24-12-10-23(11-13-24)26(21-28-16-19-30-20-17-28)27-32-25-8-3-2-4-9-25/h10-13,22,25H,2-9,14-21H2,1H3
InChIKeyMQBNHAQKKVABAZ-UHFFFAOYSA-N
MW443.63 g/mol
LogP4.33
Rot. Bonds10

About N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine

N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine (PubChem CID 123212880) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine.

Molecular Properties

Compound NameN-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine
PubChem CID123212880
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC NameN-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine
SMILESCC1CCCN1CCCOc1ccc(C(CN2CCOCC2)=NOC2CCCCC2)cc1
InChIInChI=1S/C26H41N3O3/c1-22-7-5-14-29(22)15-6-18-31-24-12-10-23(11-13-24)26(21-28-16-19-30-20-17-28)27-32-25-8-3-2-4-9-25/h10-13,22,25H,2-9,14-21H2,1H3
InChIKeyMQBNHAQKKVABAZ-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;(NZ)-N-[1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]propylidene]hydroxylamine
CID 172987127
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-morpholin-4-ylmethanone;dihydrate
CID 142763044
[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 74819977
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
N,N-dimethyl-4-[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxamide
CID 75306580
[4-methyl-2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazol-5-yl]-morpholin-4-ylmethanone
CID 11858136
[1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]-piperidin-1-ylmethanone
CID 58186900
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
4-chloro-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
CID 74940813
1-(1-methylcyclopropyl)-2-[4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenoxy]piperidin-1-yl]ethanone
CID 135221170

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine?
The IUPAC name of N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine (CID 123212880) is N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine.
What is the SMILES notation for N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine?
The canonical SMILES for N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine is CC1CCCN1CCCOc1ccc(C(CN2CCOCC2)=NOC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine?
The InChIKey is MQBNHAQKKVABAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-22-7-5-14-29(22)15-6-18-31-24-12-10-23(11-13-24)26(21-28-16-19-30-20-17-28)27-32-25-8-3-2-4-9-25/h10-13,22,25H,2-9,14-21H2,1H3.
What are the key properties of N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine?
N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine has a molecular weight of 443.63 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine is sourced from PubChem (CID 123212880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).