N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine

C13H28N2O — CID 115685053

IUPACN-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
SMILESCCOC(CCN(C)C)CNC1CCCC1
InChIInChI=1S/C13H28N2O/c1-4-16-13(9-10-15(2)3)11-14-12-7-5-6-8-12/h12-14H,4-11H2,1-3H3
InChIKeyOLLWPEIQELUACK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine

N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine (PubChem CID 115685053) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
PubChem CID115685053
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
SMILESCCOC(CCN(C)C)CNC1CCCC1
InChIInChI=1S/C13H28N2O/c1-4-16-13(9-10-15(2)3)11-14-12-7-5-6-8-12/h12-14H,4-11H2,1-3H3
InChIKeyOLLWPEIQELUACK-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
N-butan-2-yl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
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CID 55087417
(2R)-2-ethoxy-N',N'-dimethylbutane-1,4-diamine
CID 95006031
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
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CID 119897013
1-N-cyclopentyl-2-N-methyl-2-N-(3-methylbutyl)propane-1,2-diamine
CID 62569636
1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine;hydroiodide
CID 111975052
(2S,5R)-5-(aminomethyl)-N-[4-(dimethylamino)-2-ethoxybutyl]oxolane-2-carboxamide
CID 120801306
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
N-(2-phenoxybutyl)cyclopentanamine
CID 54798929
2-(cyclopentylamino)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 54968434

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine (CID 115685053) is N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine is CCOC(CCN(C)C)CNC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is OLLWPEIQELUACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-16-13(9-10-15(2)3)11-14-12-7-5-6-8-12/h12-14H,4-11H2,1-3H3.
What are the key properties of N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine?
N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-ethoxy-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115685053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).