N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine

C18H33NOS — CID 79908697

IUPACN-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C18H33NOS/c1-3-19-17(15-6-4-14(2)5-7-15)16-8-10-20-18(12-16)9-11-21-13-18/h14-17,19H,3-13H2,1-2H3
InChIKeyRQZPUEFFPOYVSL-UHFFFAOYSA-N
MW311.53 g/mol
LogP4.09
Rot. Bonds4

About N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine

N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine (PubChem CID 79908697) has the molecular formula C18H33NOS and a molecular weight of 311.53 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
PubChem CID79908697
Molecular FormulaC18H33NOS
Molecular Weight311.53 g/mol
Exact Mass311.23
IUPAC NameN-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)CC1)C1CCOC2(CCSC2)C1
InChIInChI=1S/C18H33NOS/c1-3-19-17(15-6-4-14(2)5-7-15)16-8-10-20-18(12-16)9-11-21-13-18/h14-17,19H,3-13H2,1-2H3
InChIKeyRQZPUEFFPOYVSL-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 79914457
N-[cyclobutyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79914136
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(thiolan-3-yl)methyl]ethanamine
CID 105170844
N-[(4-methylthiomorpholin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 106445285
N-ethyl-2-methylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79914201
N-[6-bicyclo[3.1.0]hexanyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017704
N-[cyclopentyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]propan-1-amine
CID 79908146
N-ethyl-2-ethylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911407
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiolan-2-yl)methyl]propan-1-amine
CID 80626644
N-[(3-methyloxolan-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 105017744
N-[2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclopentyl)methyl]ethanamine
CID 79911261
2,2-diethoxy-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79911289

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine (CID 79908697) is N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine is CCNC(C1CCC(C)CC1)C1CCOC2(CCSC2)C1.
What is the InChIKey of N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
The InChIKey is RQZPUEFFPOYVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NOS/c1-3-19-17(15-6-4-14(2)5-7-15)16-8-10-20-18(12-16)9-11-21-13-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine?
N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine has a molecular weight of 311.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine is sourced from PubChem (CID 79908697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).