3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine

C13H25NS — CID 105163977

IUPAC3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCSC1
InChIInChI=1S/C13H25NS/c1-4-7-14-13(9-11(3)5-2)12-6-8-15-10-12/h12-14H,3-10H2,1-2H3
InChIKeyOVXKNFJESXSGSG-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.46
Rot. Bonds7

About 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine

3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine (PubChem CID 105163977) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine
PubChem CID105163977
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CCSC1
InChIInChI=1S/C13H25NS/c1-4-7-14-13(9-11(3)5-2)12-6-8-15-10-12/h12-14H,3-10H2,1-2H3
InChIKeyOVXKNFJESXSGSG-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.46
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,5S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propylpyrrolidine
CID 118562801
3,4,11-Trimethyl-2-thia-10-azabicyclo[5.5.0]dodec-1(7)-ene
CID 123469460
4-[amino(cyclobuten-1-yl)methyl]-N-methylthiolan-3-amine
CID 130220826
3-tert-butyl-2-methyl-6-propan-2-yl-3,3a,4,6a-tetrahydro-2H-thieno[3,2-b]pyrrole
CID 132147807
4-methyl-N-[3-(2-methyl-4-nonan-3-yl-2-prop-1-en-2-ylcyclopentyl)butan-2-yl]-5-(thiolan-2-yl)heptan-3-amine
CID 139418255
1-N-[6-[3-methyl-4-(methylamino)thiolan-2-yl]hex-1-en-2-yl]hexane-1,5-diamine;prop-1-ene
CID 141828038
N,2,6-trimethyl-11-[2-methyl-4-(2-methyl-4-methylideneheptan-2-yl)sulfanylpentan-2-yl]sulfanylundecan-2-amine
CID 155002156
2-(3-Methylbut-1-en-2-yl)pyrrolidine-3-thiol
CID 156255826
N,3-dimethyl-4-(3-methyl-2-methylidenebutyl)thiolan-3-amine
CID 163708929
6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine
CID 166919209
N-ethenyl-5-hex-5-enyl-4-methylthiolan-3-amine
CID 169898049

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine?
The IUPAC name of 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine (CID 105163977) is 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine.
What is the SMILES notation for 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine?
The canonical SMILES for 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine is C=C(CC)CC(NCCC)C1CCSC1.
What is the InChIKey of 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine?
The InChIKey is OVXKNFJESXSGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-4-7-14-13(9-11(3)5-2)12-6-8-15-10-12/h12-14H,3-10H2,1-2H3.
What are the key properties of 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine?
3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-propyl-1-(thiolan-3-yl)pentan-1-amine is sourced from PubChem (CID 105163977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).