N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine

C21H32N2O — CID 97397277

IUPACN-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
SMILESCN(C[C@H]1CO[C@]2(CCCN(CCc3ccccc3)C2)C1)C1CC1
InChIInChI=1S/C21H32N2O/c1-22(20-8-9-20)15-19-14-21(24-16-19)11-5-12-23(17-21)13-10-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3/t19-,21+/m0/s1
InChIKeyXQAZPTWCEAUBDZ-PZJWPPBQSA-N
MW328.50 g/mol
LogP3.19
Rot. Bonds6

About N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine

N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine (PubChem CID 97397277) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
PubChem CID97397277
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
SMILESCN(C[C@H]1CO[C@]2(CCCN(CCc3ccccc3)C2)C1)C1CC1
InChIInChI=1S/C21H32N2O/c1-22(20-8-9-20)15-19-14-21(24-16-19)11-5-12-23(17-21)13-10-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3/t19-,21+/m0/s1
InChIKeyXQAZPTWCEAUBDZ-PZJWPPBQSA-N
XLogP3.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-3-methyl-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97395102
N-[[(3S,5S)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]-1,3-thiazol-2-amine
CID 98818732
3-phenoxy-7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071068
N-(2-fluoroethyl)-N-methyl-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 155878318
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
7-[2-(3-methylphenyl)ethyl]-1-oxa-7-azaspiro[2.5]octane
CID 172620639
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
N-methyl-2-[[7-(2-phenylethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 134071038
N-[(5S,9S)-2-(2-phenylethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 124782595
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclobutanamine
CID 26392696
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
9-(2-methoxyethyl)-3-phenoxy-1-oxa-9-azaspiro[4.5]decane
CID 134071298

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine (CID 97397277) is N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine is CN(C[C@H]1CO[C@]2(CCCN(CCc3ccccc3)C2)C1)C1CC1.
What is the InChIKey of N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The InChIKey is XQAZPTWCEAUBDZ-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H32N2O/c1-22(20-8-9-20)15-19-14-21(24-16-19)11-5-12-23(17-21)13-10-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3/t19-,21+/m0/s1.
What are the key properties of N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine has a molecular weight of 328.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S,5R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 97397277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).