4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine

C14H27NS — CID 80583942

IUPAC4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(NCC2CCCS2)CC1
InChIInChI=1S/C14H27NS/c1-14(2)8-3-5-12(7-9-14)15-11-13-6-4-10-16-13/h12-13,15H,3-11H2,1-2H3
InChIKeyZHMRNXLOIKVIKT-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.83
Rot. Bonds3

About 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine

4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine (PubChem CID 80583942) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
PubChem CID80583942
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
SMILESCC1(C)CCCC(NCC2CCCS2)CC1
InChIInChI=1S/C14H27NS/c1-14(2)8-3-5-12(7-9-14)15-11-13-6-4-10-16-13/h12-13,15H,3-11H2,1-2H3
InChIKeyZHMRNXLOIKVIKT-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(thian-2-ylmethyl)cyclobutanamine
CID 80599941
2,2-dimethyl-N-(thiolan-2-ylmethyl)-1,3-dioxan-5-amine
CID 106658875
4-propan-2-yl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine
CID 80585023
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
4-tert-butyl-N-(thiolan-2-ylmethyl)cyclohexan-1-amine
CID 80584221
N-(thiolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 80584129
4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
CID 65088248
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
1-oxo-N-(thian-2-ylmethyl)thian-4-amine
CID 80600452
tert-butyl N-[4-(thiolan-2-ylmethylamino)cyclohexyl]carbamate
CID 80583721
N-(thian-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80599968
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine (CID 80583942) is 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine is CC1(C)CCCC(NCC2CCCS2)CC1.
What is the InChIKey of 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is ZHMRNXLOIKVIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-14(2)8-3-5-12(7-9-14)15-11-13-6-4-10-16-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine?
4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(thiolan-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 80583942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).