1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine

C11H24N2S — CID 60852792

IUPAC1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-4-6-11(2,12)9-13(3)10-5-7-14-8-10/h10H,4-9,12H2,1-3H3
InChIKeyWLWGMYHAEMENKG-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds5

About 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine

1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine (PubChem CID 60852792) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
PubChem CID60852792
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)C1CCSC1
InChIInChI=1S/C11H24N2S/c1-4-6-11(2,12)9-13(3)10-5-7-14-8-10/h10H,4-9,12H2,1-3H3
InChIKeyWLWGMYHAEMENKG-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

6,6,6-trifluoro-2-N,2-dimethyl-2-N-(thiolan-3-yl)hexane-1,2-diamine
CID 116535146
N,N-dimethyl-3-[(propan-2-ylamino)methyl]thiolan-3-amine
CID 115906079
3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
CID 24691049
[3-(2-Methylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 24692070
[3-(3,5-Dimethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 24694609
[3-(3-Methylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 24697187
3-(aminomethyl)-N-butyl-N-ethylthiolan-3-amine
CID 24697263
3-(aminomethyl)-N,N-dipropylthiolan-3-amine
CID 24705226
3-(aminomethyl)-N,N-diethylthiolan-3-amine
CID 24705648
3-(aminomethyl)-N-butyl-N-methylthiolan-3-amine
CID 24707677
3-(aminomethyl)-N,N-dibutylthiolan-3-amine
CID 43125890
N-[[1-(dimethylamino)cyclohexyl]methyl]thiolan-3-amine
CID 43180773

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine (CID 60852792) is 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine is CCCC(C)(N)CN(C)C1CCSC1.
What is the InChIKey of 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
The InChIKey is WLWGMYHAEMENKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-6-11(2,12)9-13(3)10-5-7-14-8-10/h10H,4-9,12H2,1-3H3.
What are the key properties of 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine?
1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-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 1-N,2-dimethyl-1-N-(thiolan-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 60852792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).