N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine

C11H24N2S — CID 102671868

IUPACN'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC1SCCC1NCCN(C)C(C)C
InChIInChI=1S/C11H24N2S/c1-9(2)13(4)7-6-12-11-5-8-14-10(11)3/h9-12H,5-8H2,1-4H3
InChIKeyXFKMKYIFMWAFHK-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.81
Rot. Bonds5

About N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine

N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 102671868) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID102671868
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC NameN'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC1SCCC1NCCN(C)C(C)C
InChIInChI=1S/C11H24N2S/c1-9(2)13(4)7-6-12-11-5-8-14-10(11)3/h9-12H,5-8H2,1-4H3
InChIKeyXFKMKYIFMWAFHK-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-N-(2-methylthiolan-3-yl)butane-1,4-diamine
CID 102671776
2-methyl-N-[2-(2-methylpropoxy)ethyl]thiolan-3-amine
CID 102671626
N'-cyclopropyl-N'-methyl-N-(2-methylthian-3-yl)ethane-1,2-diamine
CID 79956873
N',N'-diethyl-N-(2-methylthiolan-3-yl)propane-1,3-diamine
CID 102672813
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
tert-butyl N-cyclopropyl-N-[2-[(2-methylthiolan-3-yl)amino]ethyl]carbamate
CID 102672001
2-methyl-N-[(2-methylcyclopropyl)methyl]thiolan-3-amine
CID 102671571
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
2-methyl-N-(2-methylsulfinylethyl)thiolan-3-amine
CID 102672329
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 102672561
N-(3,4-dimethylcyclohexyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64746812
2-methyl-N-(4-propan-2-yloxybutyl)thian-3-amine
CID 106007631

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine (CID 102671868) is N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine is CC1SCCC1NCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is XFKMKYIFMWAFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-9(2)13(4)7-6-12-11-5-8-14-10(11)3/h9-12H,5-8H2,1-4H3.
What are the key properties of N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 216.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylthiolan-3-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 102671868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).