1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine

C14H27NS — CID 80725460

IUPAC1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCCS1)C1CCCCC1
InChIInChI=1S/C14H27NS/c1-12(13-7-4-3-5-8-13)15-11-14(2)9-6-10-16-14/h12-13,15H,3-11H2,1-2H3
InChIKeyKANJUVHBOKOPIO-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds4

About 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine

1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 80725460) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID80725460
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC(NCC1(C)CCCS1)C1CCCCC1
InChIInChI=1S/C14H27NS/c1-12(13-7-4-3-5-8-13)15-11-14(2)9-6-10-16-14/h12-13,15H,3-11H2,1-2H3
InChIKeyKANJUVHBOKOPIO-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115728211
1-cyclohexyl-N-[(1-methylcyclobutyl)methyl]ethanamine;hydrochloride
CID 115683928
N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 80726960
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-cyclohexyl-N-[(1-ethylcyclopropyl)methyl]ethanamine;hydrochloride
CID 115683925
(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81393158
[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
3-[(1-cyclopentylethylamino)methyl]thiolan-3-ol
CID 115726349
N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527987
N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
1-methoxy-4-methyl-N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 115728210

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine (CID 80725460) is 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine is CC(NCC1(C)CCCS1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is KANJUVHBOKOPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-12(13-7-4-3-5-8-13)15-11-14(2)9-6-10-16-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80725460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).