N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride

C18H28ClNO — CID 3061086

IUPACN,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride
SMILESCN(C)CC1COC2(CCCCC2)C1c1ccccc1.Cl
InChIInChI=1S/C18H27NO.ClH/c1-19(2)13-16-14-20-18(11-7-4-8-12-18)17(16)15-9-5-3-6-10-15;/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3;1H
InChIKeyISFVNFWBRNIEKN-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.10
Rot. Bonds3

About N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride

N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride (PubChem CID 3061086) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride
PubChem CID3061086
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride
SMILESCN(C)CC1COC2(CCCCC2)C1c1ccccc1.Cl
InChIInChI=1S/C18H27NO.ClH/c1-19(2)13-16-14-20-18(11-7-4-8-12-18)17(16)15-9-5-3-6-10-15;/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3;1H
InChIKeyISFVNFWBRNIEKN-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride (CID 3061086) is N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride is CN(C)CC1COC2(CCCCC2)C1c1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride?
The InChIKey is ISFVNFWBRNIEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.ClH/c1-19(2)13-16-14-20-18(11-7-4-8-12-18)17(16)15-9-5-3-6-10-15;/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride?
N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenyl-1-oxaspiro[4.5]decan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 3061086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).