N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

C12H26N2OS — CID 107132836

IUPACN-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCC(C)OCCN(C)C(CN)C1CCSC1
InChIInChI=1S/C12H26N2OS/c1-10(2)15-6-5-14(3)12(8-13)11-4-7-16-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyYORBDGARYNHQCD-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.42
Rot. Bonds7

About N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132836) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132836
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC NameN-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCC(C)OCCN(C)C(CN)C1CCSC1
InChIInChI=1S/C12H26N2OS/c1-10(2)15-6-5-14(3)12(8-13)11-4-7-16-9-11/h10-12H,4-9,13H2,1-3H3
InChIKeyYORBDGARYNHQCD-UHFFFAOYSA-N
XLogP1.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132836) is N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is CC(C)OCCN(C)C(CN)C1CCSC1.
What is the InChIKey of N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is YORBDGARYNHQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-10(2)15-6-5-14(3)12(8-13)11-4-7-16-9-11/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 246.42 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).