N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine

C12H23NS — CID 105153345

IUPACN-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
SMILESC=CCCC(NCC)C1(C)CCCS1
InChIInChI=1S/C12H23NS/c1-4-6-8-11(13-5-2)12(3)9-7-10-14-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyRMHBIYAVBFDGJG-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.22
Rot. Bonds6

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

N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine (PubChem CID 105153345) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
PubChem CID105153345
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine
SMILESC=CCCC(NCC)C1(C)CCCS1
InChIInChI=1S/C12H23NS/c1-4-6-8-11(13-5-2)12(3)9-7-10-14-12/h4,11,13H,1,5-10H2,2-3H3
InChIKeyRMHBIYAVBFDGJG-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.22
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

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 N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The IUPAC name of N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine (CID 105153345) is N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine is C=CCCC(NCC)C1(C)CCCS1.
What is the InChIKey of N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
The InChIKey is RMHBIYAVBFDGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-4-6-8-11(13-5-2)12(3)9-7-10-14-12/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine?
N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylthiolan-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 105153345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).