1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine

C13H25NS — CID 105153555

IUPAC1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)C1(C)CCCS1
InChIInChI=1S/C13H25NS/c1-4-6-8-12(14-10-5-2)13(3)9-7-11-15-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyKNWOBPZJXTVBRT-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.61
Rot. Bonds7

About 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine

1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine (PubChem CID 105153555) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine
PubChem CID105153555
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine
SMILESC=CCCC(NCCC)C1(C)CCCS1
InChIInChI=1S/C13H25NS/c1-4-6-8-12(14-10-5-2)13(3)9-7-11-15-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyKNWOBPZJXTVBRT-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Hex-5-en-1-yl)-2-methyl-1,3-thiazolidine
CID 3058791
N-ethyl-5-prop-2-enylthiolan-3-amine
CID 57017771
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
2-Pentyl-5,5-bis(prop-2-enyl)-1,3-thiazolidine
CID 69921126
(2S,5S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propylpyrrolidine
CID 118562801
3-(1-ethylsulfanylethyl)-N-oct-7-en-2-yl-5-thiabicyclo[2.1.0]pentan-2-amine
CID 123976331
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-ethenyl-5-hex-5-enyl-4-methylthiolan-3-amine
CID 169898049
4-methyl-N-[2-[(1Z)-penta-1,4-dienyl]sulfanylethyl]hexan-2-amine
CID 174249079
N-(cyclohex-3-en-1-ylmethyl)thiolan-3-amine
CID 61951484
1-ethylsulfanyl-N-propylhept-6-en-2-amine
CID 65127603

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine (CID 105153555) is 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine is C=CCCC(NCCC)C1(C)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine?
The InChIKey is KNWOBPZJXTVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-4-6-8-12(14-10-5-2)13(3)9-7-11-15-13/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine?
1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine has a molecular weight of 227.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105153555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).