2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine

C11H24N2S — CID 43296504

IUPAC2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-4-11(5-2,9-12)13(3)10-6-7-14-8-10/h10H,4-9,12H2,1-3H3
InChIKeyGUUFEHRMHQZSEZ-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds5

About 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine

2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine (PubChem CID 43296504) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine
PubChem CID43296504
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine
SMILESCCC(CC)(CN)N(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-4-11(5-2,9-12)13(3)10-6-7-14-8-10/h10H,4-9,12H2,1-3H3
InChIKeyGUUFEHRMHQZSEZ-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 114996951
3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
4-(aminomethyl)-N,N-dimethylthian-4-amine
CID 61563056
N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458048
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
3-Methyl-3-(1,4-thiazepan-4-yl)pentan-2-amine
CID 123691863
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932626
(3R)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932627
[(3S)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932628
(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932629

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine (CID 43296504) is 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine is CCC(CC)(CN)N(C)C1CCSC1.
What is the InChIKey of 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine?
The InChIKey is GUUFEHRMHQZSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-11(5-2,9-12)13(3)10-6-7-14-8-10/h10H,4-9,12H2,1-3H3.
What are the key properties of 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine?
2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-methyl-2-N-(thiolan-3-yl)butane-1,2-diamine is sourced from PubChem (CID 43296504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).