1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C14H24N2S — CID 55034715

IUPAC1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1cccs1)C(CN)C1CCCC1
InChIInChI=1S/C14H24N2S/c1-2-16(11-13-8-5-9-17-13)14(10-15)12-6-3-4-7-12/h5,8-9,12,14H,2-4,6-7,10-11,15H2,1H3
InChIKeyBKYYCCGDZSOYJQ-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.09
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 55034715) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID55034715
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(Cc1cccs1)C(CN)C1CCCC1
InChIInChI=1S/C14H24N2S/c1-2-16(11-13-8-5-9-17-13)14(10-15)12-6-3-4-7-12/h5,8-9,12,14H,2-4,6-7,10-11,15H2,1H3
InChIKeyBKYYCCGDZSOYJQ-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-methyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 43527381
1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 55034763
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
2-ethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65232586
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
N-methyl-1-(thiolan-3-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 107132607
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
2-ethyl-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 65228216
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
N,N-dibenzyl-1-cyclopentylethane-1,2-diamine
CID 130158926
2-N-ethyl-3-phenyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61436906

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 55034715) is 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCN(Cc1cccs1)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is BKYYCCGDZSOYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-2-16(11-13-8-5-9-17-13)14(10-15)12-6-3-4-7-12/h5,8-9,12,14H,2-4,6-7,10-11,15H2,1H3.
What are the key properties of 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-ethyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55034715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).