1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

C15H30N2O — CID 104744928

IUPAC1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C1CCOCC1)C1CCCC1
InChIInChI=1S/C15H30N2O/c1-3-16-15(13-6-4-5-7-13)12-17(2)14-8-10-18-11-9-14/h13-16H,3-12H2,1-2H3
InChIKeyWXLRYHYAJAYBQJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine

1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 104744928) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID104744928
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)C1CCOCC1)C1CCCC1
InChIInChI=1S/C15H30N2O/c1-3-16-15(13-6-4-5-7-13)12-17(2)14-8-10-18-11-9-14/h13-16H,3-12H2,1-2H3
InChIKeyWXLRYHYAJAYBQJ-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N'-methyl-N'-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 104744921
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
1-cyclohexyl-N-ethyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744433
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
N-ethyl-N'-methyl-N'-(2-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745529
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclohexyl-N'-cyclopropyl-N,N'-dimethylethane-1,2-diamine
CID 104744627
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
CID 113448631
1-cyclohexyl-N'-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 104744610
N'-cyclopentyl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448037

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine (CID 104744928) is 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is CCNC(CN(C)C1CCOCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is WXLRYHYAJAYBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-15(13-6-4-5-7-13)12-17(2)14-8-10-18-11-9-14/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine?
1-cyclopentyl-N-ethyl-N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 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'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 104744928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).