N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine

C11H21NS — CID 103088113

IUPACN-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine
SMILESCSCCCCNC1CC=CCC1
InChIInChI=1S/C11H21NS/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h2-3,11-12H,4-10H2,1H3
InChIKeyHPZIFSFPSRVZJX-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.83
Rot. Bonds6

About N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine

N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine (PubChem CID 103088113) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine
PubChem CID103088113
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine
SMILESCSCCCCNC1CC=CCC1
InChIInChI=1S/C11H21NS/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h2-3,11-12H,4-10H2,1H3
InChIKeyHPZIFSFPSRVZJX-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
3-fluoro-N-methyl-4-methylsulfanylcyclohex-2-en-1-amine
CID 169834968
N-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-3-en-1-amine
CID 116615629
2-[(E)-2-(2-pyridyl)ethenyl]thiophene
CID 175646577
N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
CID 54101904
N,2-dipropyl-2,3-dihydrothiophen-3-amine
CID 54478450
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
(2R,3aR,7aS)-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89325437
(3aR,7aS)-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89340289
(3aR)-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89367410

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine (CID 103088113) is N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine is CSCCCCNC1CC=CCC1.
What is the InChIKey of N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine?
The InChIKey is HPZIFSFPSRVZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-13-10-6-5-9-12-11-7-3-2-4-8-11/h2-3,11-12H,4-10H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine?
N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine has a molecular weight of 199.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 103088113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).