4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine

C14H27NS — CID 105162960

IUPAC4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine
SMILESC=C(C)CC(CC1CCSCC1)NCCC
InChIInChI=1S/C14H27NS/c1-4-7-15-14(10-12(2)3)11-13-5-8-16-9-6-13/h13-15H,2,4-11H2,1,3H3
InChIKeyWXFBDRFWKOTFNE-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.85
Rot. Bonds7

About 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine

4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine (PubChem CID 105162960) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine
PubChem CID105162960
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine
SMILESC=C(C)CC(CC1CCSCC1)NCCC
InChIInChI=1S/C14H27NS/c1-4-7-15-14(10-12(2)3)11-13-5-8-16-9-6-13/h13-15H,2,4-11H2,1,3H3
InChIKeyWXFBDRFWKOTFNE-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

(6S)-2,3,4-trimethyl-5-methylidene-6-(2-methylsulfanylethyl)piperidine
CID 68187026
(2S)-3-methylidene-2-(2-methylsulfanylethyl)piperidine
CID 89180058
4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)piperidine
CID 123393048
3,4,11-Trimethyl-2-thia-10-azabicyclo[5.5.0]dodec-1(7)-ene
CID 123469460
Ethane;2-methyl-1-(3-methylthian-2-yl)prop-2-en-1-amine
CID 143782987
N-[3-(3,5-dimethyl-6-methylsulfanylcyclohex-3-en-1-yl)propyl]pentan-2-amine
CID 146635349
N,2,6-trimethyl-11-[2-methyl-4-(2-methyl-4-methylideneheptan-2-yl)sulfanylpentan-2-yl]sulfanylundecan-2-amine
CID 155002156
6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine
CID 166919209
3-[2-[4-(3-Methylbut-1-en-2-yl)piperidin-1-yl]ethylsulfanyl]but-3-en-2-amine
CID 169885462
N-ethyl-4-methylidene-1-(2-methylpropylsulfanyl)hexan-2-amine
CID 66039723
4-methylidene-1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 66039955
1-(1,4-dithian-2-yl)-N-ethyl-3-methylidenepentan-1-amine
CID 79965364

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine?
The IUPAC name of 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine (CID 105162960) is 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine?
The canonical SMILES for 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine is C=C(C)CC(CC1CCSCC1)NCCC.
What is the InChIKey of 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine?
The InChIKey is WXFBDRFWKOTFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-4-7-15-14(10-12(2)3)11-13-5-8-16-9-6-13/h13-15H,2,4-11H2,1,3H3.
What are the key properties of 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine?
4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine has a molecular weight of 241.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-(thian-4-yl)pent-4-en-2-amine is sourced from PubChem (CID 105162960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).