N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine

C17H31NOS — CID 103791802

IUPACN-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCSC1CCCCC1NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H31NOS/c1-20-16-8-4-3-7-15(16)18-14-9-12-19-17(13-14)10-5-2-6-11-17/h14-16,18H,2-13H2,1H3
InChIKeyBHYVQPIKJNKUSB-UHFFFAOYSA-N
MW297.51 g/mol
LogP4.13
Rot. Bonds3

About N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine

N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 103791802) has the molecular formula C17H31NOS and a molecular weight of 297.51 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID103791802
Molecular FormulaC17H31NOS
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC NameN-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCSC1CCCCC1NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C17H31NOS/c1-20-16-8-4-3-7-15(16)18-14-9-12-19-17(13-14)10-5-2-6-11-17/h14-16,18H,2-13H2,1H3
InChIKeyBHYVQPIKJNKUSB-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylcyclohexyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 103904026
N-(2-methylsulfanylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 103907294
N-(2-methylsulfanylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 103904016
N-cyclohexyl-1-oxaspiro[5.5]undecan-4-amine
CID 79898516
N-(2,3-dimethylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79897645
N-cyclobutyl-1-oxaspiro[5.5]undecan-4-amine
CID 79895616
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 114108180
N-(2,2-dimethylcyclohexyl)-6-oxaspiro[4.5]decan-9-amine
CID 79903322
3,3-dimethyl-N-(2-methylsulfanylcyclopentyl)cyclopentan-1-amine
CID 104531263
N-(2-methylsulfanylcyclohexyl)oxepan-4-amine
CID 103894919
N-(1-methylcyclopentyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895290
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine (CID 103791802) is N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine is CSC1CCCCC1NC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is BHYVQPIKJNKUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NOS/c1-20-16-8-4-3-7-15(16)18-14-9-12-19-17(13-14)10-5-2-6-11-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine?
N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 297.51 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylcyclohexyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 103791802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).