N-(2-propan-2-ylsulfanylethyl)cycloheptanamine

C12H25NS — CID 62579320

IUPACN-(2-propan-2-ylsulfanylethyl)cycloheptanamine
SMILESCC(C)SCCNC1CCCCCC1
InChIInChI=1S/C12H25NS/c1-11(2)14-10-9-13-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyAEEFJJPBSHCKFL-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds5

About N-(2-propan-2-ylsulfanylethyl)cycloheptanamine

N-(2-propan-2-ylsulfanylethyl)cycloheptanamine (PubChem CID 62579320) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfanylethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfanylethyl)cycloheptanamine
PubChem CID62579320
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(2-propan-2-ylsulfanylethyl)cycloheptanamine
SMILESCC(C)SCCNC1CCCCCC1
InChIInChI=1S/C12H25NS/c1-11(2)14-10-9-13-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3
InChIKeyAEEFJJPBSHCKFL-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxysulfanylethyl)cyclohexanamine
CID 151667244
(2S)-N-cyclopentyl-2-(2-propan-2-ylsulfanylethylamino)propanamide
CID 95125590
N-(2-pentylsulfanylethyl)cyclopentanamine
CID 107756998
N-(3-methylsulfanylbutyl)cyclooctanamine
CID 115716124
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N-[2-(cyclopentylmethylsulfanyl)ethyl]cyclohexanamine
CID 63119889
1-(cycloheptylamino)propan-2-ol
CID 43392225
1-(cyclooctylamino)propan-2-ol
CID 20539535
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-propylcyclohexanamine;hydrochloride
CID 17370003
azane;N-propylcyclohexanamine
CID 19368218

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfanylethyl)cycloheptanamine?
The IUPAC name of N-(2-propan-2-ylsulfanylethyl)cycloheptanamine (CID 62579320) is N-(2-propan-2-ylsulfanylethyl)cycloheptanamine.
What is the SMILES notation for N-(2-propan-2-ylsulfanylethyl)cycloheptanamine?
The canonical SMILES for N-(2-propan-2-ylsulfanylethyl)cycloheptanamine is CC(C)SCCNC1CCCCCC1.
What is the InChIKey of N-(2-propan-2-ylsulfanylethyl)cycloheptanamine?
The InChIKey is AEEFJJPBSHCKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11(2)14-10-9-13-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(2-propan-2-ylsulfanylethyl)cycloheptanamine?
N-(2-propan-2-ylsulfanylethyl)cycloheptanamine has a molecular weight of 215.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfanylethyl)cycloheptanamine is sourced from PubChem (CID 62579320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).