N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C15H26N2S — CID 62558541

IUPACN-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(NCCN(Cc1cccs1)C(C)C)C1CC1
InChIInChI=1S/C15H26N2S/c1-12(2)17(11-15-5-4-10-18-15)9-8-16-13(3)14-6-7-14/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyIOKMKYCRTYFZLL-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.35
Rot. Bonds8

About N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62558541) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62558541
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC NameN-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCC(NCCN(Cc1cccs1)C(C)C)C1CC1
InChIInChI=1S/C15H26N2S/c1-12(2)17(11-15-5-4-10-18-15)9-8-16-13(3)14-6-7-14/h4-5,10,12-14,16H,6-9,11H2,1-3H3
InChIKeyIOKMKYCRTYFZLL-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
N-(1-cyclopentylethyl)-3-thiophen-2-ylpropan-1-amine
CID 115897402
N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62554475
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
N-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)pentane-1,5-diamine
CID 55072475
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
1-(1-ethylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308376
N-butan-2-yl-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61449596
N-[[5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556484
1-(1-methylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43308377
N'-(cyclopropylmethyl)-N'-propan-2-yl-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62556875

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62558541) is N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CC(NCCN(Cc1cccs1)C(C)C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is IOKMKYCRTYFZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12(2)17(11-15-5-4-10-18-15)9-8-16-13(3)14-6-7-14/h4-5,10,12-14,16H,6-9,11H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 266.45 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62558541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).