N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine

C14H27NS — CID 107011890

IUPACN-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1CCSC1
InChIInChI=1S/C14H27NS/c1-3-5-6-7-8-9-14(15-4-2)13-10-11-16-12-13/h3,13-15H,1,4-12H2,2H3
InChIKeyFSCVPPXCAZIORP-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.85
Rot. Bonds9

About N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine

N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine (PubChem CID 107011890) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
PubChem CID107011890
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1CCSC1
InChIInChI=1S/C14H27NS/c1-3-5-6-7-8-9-14(15-4-2)13-10-11-16-12-13/h3,13-15H,1,4-12H2,2H3
InChIKeyFSCVPPXCAZIORP-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.85
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

N-methyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107012091
N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
CID 107009239
N-ethyl-3-methylsulfonyl-1-(thiolan-3-yl)propan-1-amine
CID 114984200
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine
CID 107011407
1-cyclohexyl-N-ethylnon-8-en-2-amine
CID 107011937
N-methyl-1-(thian-4-yl)non-8-en-2-amine
CID 107011659
1-(1,1-dioxothiolan-3-yl)-N-ethylhex-5-en-1-amine
CID 115336846
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)oct-7-en-1-amine
CID 107011322
1-(oxan-3-yl)-N-propyloct-7-en-1-amine
CID 107009211
1-(4-tert-butylcyclohexyl)oct-7-enylhydrazine
CID 107012511

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine?
The IUPAC name of N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine (CID 107011890) is N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine.
What is the SMILES notation for N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine?
The canonical SMILES for N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine is C=CCCCCCC(NCC)C1CCSC1.
What is the InChIKey of N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine?
The InChIKey is FSCVPPXCAZIORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-5-6-7-8-9-14(15-4-2)13-10-11-16-12-13/h3,13-15H,1,4-12H2,2H3.
What are the key properties of N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine?
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine has a molecular weight of 241.44 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine is sourced from PubChem (CID 107011890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).