4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine

C16H31NS — CID 115653911

IUPAC4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCC2CCSCC2)CC1
InChIInChI=1S/C16H31NS/c1-16(2,3)14-4-6-15(7-5-14)17-12-13-8-10-18-11-9-13/h13-15,17H,4-12H2,1-3H3
InChIKeyGGIFMJMHWBUBIU-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.32
Rot. Bonds3

About 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine

4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine (PubChem CID 115653911) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
PubChem CID115653911
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(NCC2CCSCC2)CC1
InChIInChI=1S/C16H31NS/c1-16(2,3)14-4-6-15(7-5-14)17-12-13-8-10-18-11-9-13/h13-15,17H,4-12H2,1-3H3
InChIKeyGGIFMJMHWBUBIU-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(thian-4-ylmethyl)cyclohexan-1-amine
CID 104530194
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
4-tert-butyl-N-(thiolan-2-ylmethyl)cyclohexan-1-amine
CID 80584221
4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine
CID 60733471
N-[(4-tert-butylcyclohexyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107849959
N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
1-ethyl-N-(thian-4-ylmethyl)azepan-4-amine
CID 113487394
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756
4-(thiolan-3-ylmethylamino)cyclohexan-1-ol
CID 107131200
4-[(4-tert-butylcyclohexyl)methylamino]pyrrolidin-2-one
CID 104665410
1,5-dimethyl-N-(thian-4-ylmethyl)pyrrolidin-3-amine
CID 115719869
(3S)-N-(thiepan-4-ylmethyl)pyrrolidin-3-amine
CID 164653873

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine (CID 115653911) is 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine is CC(C)(C)C1CCC(NCC2CCSCC2)CC1.
What is the InChIKey of 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is GGIFMJMHWBUBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c1-16(2,3)14-4-6-15(7-5-14)17-12-13-8-10-18-11-9-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine?
4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 269.50 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(thian-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 115653911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).