(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine

C16H24N2O — CID 119056843

IUPAC(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
SMILESNCC1CN(Cc2ccccc2)CC12CCOCC2
InChIInChI=1S/C16H24N2O/c17-10-15-12-18(11-14-4-2-1-3-5-14)13-16(15)6-8-19-9-7-16/h1-5,15H,6-13,17H2
InChIKeyIKQSGNVRSNCGPI-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.87
Rot. Bonds3

About (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine

(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine (PubChem CID 119056843) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine.

Molecular Properties

Compound Name(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
PubChem CID119056843
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
SMILESNCC1CN(Cc2ccccc2)CC12CCOCC2
InChIInChI=1S/C16H24N2O/c17-10-15-12-18(11-14-4-2-1-3-5-14)13-16(15)6-8-19-9-7-16/h1-5,15H,6-13,17H2
InChIKeyIKQSGNVRSNCGPI-UHFFFAOYSA-N
XLogP1.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
4-(Methoxymethyl)-2-[3-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]decane
CID 91922012
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
rac-[(3R,4R)-4-(aminomethyl)-1-benzylpyrrolidin-3-yl]methanol
CID 59026195
[2-(2-Fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910487
[2-(3,4-Difluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910488
{2-[4-(Trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]dec-4-yl}methanol
CID 91921710
4-(Methoxymethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 91922010
4-(Methoxymethyl)-2-[2-(trifluoromethyl)benzyl]-2,8-diazaspiro[4.5]decane
CID 91922011
[8-(2,4-Difluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922080
[2-(4-Isopropylbenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922022
(2-Benzyl-8-oxa-2-azaspiro(4.5)decan-4-yl)methanamine dihydrochloride
CID 145867606

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The IUPAC name of (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine (CID 119056843) is (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine.
What is the SMILES notation for (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The canonical SMILES for (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine is NCC1CN(Cc2ccccc2)CC12CCOCC2.
What is the InChIKey of (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
The InChIKey is IKQSGNVRSNCGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-10-15-12-18(11-14-4-2-1-3-5-14)13-16(15)6-8-19-9-7-16/h1-5,15H,6-13,17H2.
What are the key properties of (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine?
(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine has a molecular weight of 260.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine is sourced from PubChem (CID 119056843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).