N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine

C15H29NOS — CID 79963050

IUPACN-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1CSCCO1
InChIInChI=1S/C15H29NOS/c1-4-16-15(14-10-18-8-7-17-14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3
InChIKeyOCFQCRMYJUAMGT-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.17
Rot. Bonds4

About N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine

N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine (PubChem CID 79963050) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine
PubChem CID79963050
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine
SMILESCCNC(C1CCC(C)C(C)C1)C1CSCCO1
InChIInChI=1S/C15H29NOS/c1-4-16-15(14-10-18-8-7-17-14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3
InChIKeyOCFQCRMYJUAMGT-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(oxolan-2-yl)methyl]ethanamine
CID 65328191
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 65352331
N-[(3,4-dimethylcyclohexyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 104989358
N-[(3,4-dimethylcyclohexyl)-(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 65352596
N-[(3,4-dimethylcyclohexyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092980
N-[(3,4-dimethylcyclohexyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 79966234
N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 82922082
N-[(4-methylcyclohexyl)-(thiolan-3-yl)methyl]ethanamine
CID 105153759
N-[(3,4-dimethylcyclohexyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 104989527
N-ethyl-4,4-dimethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 79962953
(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol
CID 105103138
[cyclopentyl(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249541

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine (CID 79963050) is N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine is CCNC(C1CCC(C)C(C)C1)C1CSCCO1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine?
The InChIKey is OCFQCRMYJUAMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-4-16-15(14-10-18-8-7-17-14)13-6-5-11(2)12(3)9-13/h11-16H,4-10H2,1-3H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine?
N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine has a molecular weight of 271.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(1,4-oxathian-2-yl)methyl]ethanamine is sourced from PubChem (CID 79963050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).