N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine

C16H23N3O — CID 46389062

IUPACN-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine
SMILESCc1ccccc1CNC1=NCCNC12CCOCC2
InChIInChI=1S/C16H23N3O/c1-13-4-2-3-5-14(13)12-18-15-16(19-9-8-17-15)6-10-20-11-7-16/h2-5,19H,6-12H2,1H3,(H,17,18)
InChIKeyLNVZUOVPFFTRDS-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.64
Rot. Bonds2

About N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine

N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine (PubChem CID 46389062) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine
PubChem CID46389062
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine
SMILESCc1ccccc1CNC1=NCCNC12CCOCC2
InChIInChI=1S/C16H23N3O/c1-13-4-2-3-5-14(13)12-18-15-16(19-9-8-17-15)6-10-20-11-7-16/h2-5,19H,6-12H2,1H3,(H,17,18)
InChIKeyLNVZUOVPFFTRDS-UHFFFAOYSA-N
XLogP1.64
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine (CID 46389062) is N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine is Cc1ccccc1CNC1=NCCNC12CCOCC2.
What is the InChIKey of N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine?
The InChIKey is LNVZUOVPFFTRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-4-2-3-5-14(13)12-18-15-16(19-9-8-17-15)6-10-20-11-7-16/h2-5,19H,6-12H2,1H3,(H,17,18).
What are the key properties of N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine?
N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine has a molecular weight of 273.38 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-9-oxa-1,4-diazaspiro[5.5]undec-4-en-5-amine is sourced from PubChem (CID 46389062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).