N,4-diethyl-1-(thian-4-yl)octan-2-amine

C17H35NS — CID 105103395

IUPACN,4-diethyl-1-(thian-4-yl)octan-2-amine
SMILESCCCCC(CC)CC(CC1CCSCC1)NCC
InChIInChI=1S/C17H35NS/c1-4-7-8-15(5-2)13-17(18-6-3)14-16-9-11-19-12-10-16/h15-18H,4-14H2,1-3H3
InChIKeyPCDPYDJPCFIRSM-UHFFFAOYSA-N
MW285.54 g/mol
LogP5.10
Rot. Bonds10

About N,4-diethyl-1-(thian-4-yl)octan-2-amine

N,4-diethyl-1-(thian-4-yl)octan-2-amine (PubChem CID 105103395) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is N,4-diethyl-1-(thian-4-yl)octan-2-amine.

Molecular Properties

Compound NameN,4-diethyl-1-(thian-4-yl)octan-2-amine
PubChem CID105103395
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC NameN,4-diethyl-1-(thian-4-yl)octan-2-amine
SMILESCCCCC(CC)CC(CC1CCSCC1)NCC
InChIInChI=1S/C17H35NS/c1-4-7-8-15(5-2)13-17(18-6-3)14-16-9-11-19-12-10-16/h15-18H,4-14H2,1-3H3
InChIKeyPCDPYDJPCFIRSM-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
(1-cyclohexyl-4-ethyloctan-2-yl)hydrazine
CID 105288306
N-ethyl-5-methoxy-1-(thian-4-yl)pentan-2-amine
CID 105190341
2-cyclopropyl-N,5-diethylnonan-3-amine
CID 115806059
N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
4-ethyl-2-(ethylamino)octan-1-ol
CID 174812518
N,5-diethylpentadecan-7-amine
CID 115806799
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644
1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
1-cyclopropyl-3-ethyl-N-propylheptan-1-amine
CID 63413488
N,5-diethyl-1-(2-methoxyethoxy)nonan-3-amine
CID 102928484

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-(thian-4-yl)octan-2-amine?
The IUPAC name of N,4-diethyl-1-(thian-4-yl)octan-2-amine (CID 105103395) is N,4-diethyl-1-(thian-4-yl)octan-2-amine.
What is the SMILES notation for N,4-diethyl-1-(thian-4-yl)octan-2-amine?
The canonical SMILES for N,4-diethyl-1-(thian-4-yl)octan-2-amine is CCCCC(CC)CC(CC1CCSCC1)NCC.
What is the InChIKey of N,4-diethyl-1-(thian-4-yl)octan-2-amine?
The InChIKey is PCDPYDJPCFIRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-4-7-8-15(5-2)13-17(18-6-3)14-16-9-11-19-12-10-16/h15-18H,4-14H2,1-3H3.
What are the key properties of N,4-diethyl-1-(thian-4-yl)octan-2-amine?
N,4-diethyl-1-(thian-4-yl)octan-2-amine has a molecular weight of 285.54 g/mol, XLogP of 5.10, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-(thian-4-yl)octan-2-amine is sourced from PubChem (CID 105103395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).