2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine

C13H25NS — CID 107132224

IUPAC2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCC1CCSC1
InChIInChI=1S/C13H25NS/c1-13(2)7-4-3-5-12(13)14-9-11-6-8-15-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyBGKYHMKKOILYQW-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.30
Rot. Bonds3

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

2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine (PubChem CID 107132224) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
PubChem CID107132224
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCC1CCSC1
InChIInChI=1S/C13H25NS/c1-13(2)7-4-3-5-12(13)14-9-11-6-8-15-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyBGKYHMKKOILYQW-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79860846
N-(cyclooctylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 114207760
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79835364
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835884
2,2-dimethyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 80554356
2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 79834755
(1S)-N-[(1,1-dioxothian-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 97108411
4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79852877
2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79828821
2-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79836296
2-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107132036
2,2-dimethyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
CID 80554335

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine (CID 107132224) is 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine is CC1(C)CCCCC1NCC1CCSC1.
What is the InChIKey of 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
The InChIKey is BGKYHMKKOILYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-13(2)7-4-3-5-12(13)14-9-11-6-8-15-10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine?
2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107132224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).