1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine

C14H27NS — CID 79185206

IUPAC1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(CSC1CCCCC1)NCC
InChIInChI=1S/C14H27NS/c1-4-15-13(10-12(2)3)11-16-14-8-6-5-7-9-14/h13-15H,2,4-11H2,1,3H3
InChIKeyPPYGGWMSGQQAPG-UHFFFAOYSA-N
MW241.44 g/mol
LogP4.00
Rot. Bonds7

About 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine

1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine (PubChem CID 79185206) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
PubChem CID79185206
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(CSC1CCCCC1)NCC
InChIInChI=1S/C14H27NS/c1-4-15-13(10-12(2)3)11-16-14-8-6-5-7-9-14/h13-15H,2,4-11H2,1,3H3
InChIKeyPPYGGWMSGQQAPG-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
1-cyclohexylsulfanyl-N-ethyl-3-methylbut-3-en-2-amine
CID 79180264
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
1-tert-butylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine
CID 79186178
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)-N-ethylpropan-2-amine
CID 65144591
1-cyclopentylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64625936
1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine
CID 65144446
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
CID 65139959
1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
CID 105039575
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine?
The IUPAC name of 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine (CID 79185206) is 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine.
What is the SMILES notation for 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine?
The canonical SMILES for 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine is C=C(C)CC(CSC1CCCCC1)NCC.
What is the InChIKey of 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine?
The InChIKey is PPYGGWMSGQQAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-4-15-13(10-12(2)3)11-16-14-8-6-5-7-9-14/h13-15H,2,4-11H2,1,3H3.
What are the key properties of 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine?
1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine has a molecular weight of 241.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfanyl-N-ethyl-4-methylpent-4-en-2-amine is sourced from PubChem (CID 79185206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).