N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

C14H23N3S — CID 107132576

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(CCc1ccccn1)C(CN)C1CCSC1
InChIInChI=1S/C14H23N3S/c1-17(8-5-13-4-2-3-7-16-13)14(10-15)12-6-9-18-11-12/h2-4,7,12,14H,5-6,8-11,15H2,1H3
InChIKeyQNHLMSQRTOTEIN-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.64
Rot. Bonds6

About N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine

N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132576) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132576
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCN(CCc1ccccn1)C(CN)C1CCSC1
InChIInChI=1S/C14H23N3S/c1-17(8-5-13-4-2-3-7-16-13)14(10-15)12-6-9-18-11-12/h2-4,7,12,14H,5-6,8-11,15H2,1H3
InChIKeyQNHLMSQRTOTEIN-UHFFFAOYSA-N
XLogP1.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 82836200
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 116652205
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 107132607
N-methyl-N-(2-propan-2-yloxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132836
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132605
1-(2-methoxyphenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 43187219
2-pyridin-2-yl-2-(thian-4-yl)ethanamine
CID 83822942
1-(4-bromo-2-fluorophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 43364611
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132576) is N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is CN(CCc1ccccn1)C(CN)C1CCSC1.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is QNHLMSQRTOTEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-17(8-5-13-4-2-3-7-16-13)14(10-15)12-6-9-18-11-12/h2-4,7,12,14H,5-6,8-11,15H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 265.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-1-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).