N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

C13H22N2S — CID 62560588

IUPACN-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)Cc1ccsc1)C1CC1
InChIInChI=1S/C13H22N2S/c1-11(13-3-4-13)14-6-7-15(2)9-12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3
InChIKeyZNNSLFPGCBGWRJ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.57
Rot. Bonds7

About N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine

N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62560588) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID62560588
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCC(NCCN(C)Cc1ccsc1)C1CC1
InChIInChI=1S/C13H22N2S/c1-11(13-3-4-13)14-6-7-15(2)9-12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3
InChIKeyZNNSLFPGCBGWRJ-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine
CID 115676262
N'-methyl-N-prop-2-ynyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 62560587
N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 55090335
1-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 63247754
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 55090191
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
N-methyl-2-piperidin-4-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 61029974
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63482196
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 62560588) is N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is CC(NCCN(C)Cc1ccsc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZNNSLFPGCBGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(13-3-4-13)14-6-7-15(2)9-12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 238.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-methyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62560588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).