N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

C14H24N2OS — CID 54976934

IUPACN-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(C1CC1)C(CN)c1cc(C)sc1C
InChIInChI=1S/C14H24N2OS/c1-10-8-13(11(2)18-10)14(9-15)16(6-7-17-3)12-4-5-12/h8,12,14H,4-7,9,15H2,1-3H3
InChIKeyLSCXFKOLWQYHMV-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.48
Rot. Bonds7

About N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine

N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 54976934) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID54976934
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCN(C1CC1)C(CN)c1cc(C)sc1C
InChIInChI=1S/C14H24N2OS/c1-10-8-13(11(2)18-10)14(9-15)16(6-7-17-3)12-4-5-12/h8,12,14H,4-7,9,15H2,1-3H3
InChIKeyLSCXFKOLWQYHMV-UHFFFAOYSA-N
XLogP2.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 55011258
1-(3-chloro-2-fluorophenyl)-N-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114487836
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
CID 54977279
N-cyclopropyl-N-(2-methoxyethyl)-1-quinolin-8-ylethane-1,2-diamine
CID 63968305
N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937078
1-(2,5-dimethylthiophen-3-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869479
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66134912
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 79303102
N-cyclopropyl-N-(2-methoxyethyl)-1-phenylpropane-1,3-diamine
CID 62780206
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206721
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63276066
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983745

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine (CID 54976934) is N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is COCCN(C1CC1)C(CN)c1cc(C)sc1C.
What is the InChIKey of N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is LSCXFKOLWQYHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10-8-13(11(2)18-10)14(9-15)16(6-7-17-3)12-4-5-12/h8,12,14H,4-7,9,15H2,1-3H3.
What are the key properties of N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine?
N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 54976934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).