2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine

C17H31NS — CID 107295198

IUPAC2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
SMILESC1CCC(C2CCCCC2NCC2CCSC2)CC1
InChIInChI=1S/C17H31NS/c1-2-6-15(7-3-1)16-8-4-5-9-17(16)18-12-14-10-11-19-13-14/h14-18H,1-13H2
InChIKeyAPDBTGKALAZEQK-UHFFFAOYSA-N
MW281.51 g/mol
LogP4.47
Rot. Bonds4

About 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine

2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine (PubChem CID 107295198) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
PubChem CID107295198
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC Name2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
SMILESC1CCC(C2CCCCC2NCC2CCSC2)CC1
InChIInChI=1S/C17H31NS/c1-2-6-15(7-3-1)16-8-4-5-9-17(16)18-12-14-10-11-19-13-14/h14-18H,1-13H2
InChIKeyAPDBTGKALAZEQK-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039
2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107132036
N-(thiolan-3-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 107131689
[2-(thiolan-3-ylmethylamino)cyclopentyl]methanol
CID 107166450
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
2-ethyl-N-(thiolan-3-ylmethyl)cyclopropan-1-amine
CID 107166344
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
2-cyclohexyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107416929
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120
1-propan-2-yl-N-(thiolan-3-ylmethyl)azepan-4-amine
CID 107295361

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine (CID 107295198) is 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine is C1CCC(C2CCCCC2NCC2CCSC2)CC1.
What is the InChIKey of 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is APDBTGKALAZEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-2-6-15(7-3-1)16-8-4-5-9-17(16)18-12-14-10-11-19-13-14/h14-18H,1-13H2.
What are the key properties of 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 281.51 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107295198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).