N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

C15H30N2O — CID 113448260

IUPACN'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)CC1CCCC1)C1CCOC1
InChIInChI=1S/C15H30N2O/c1-3-16-15(14-8-9-18-12-14)11-17(2)10-13-6-4-5-7-13/h13-16H,3-12H2,1-2H3
InChIKeyIVKIFHTZMGBMDE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds7

About N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine

N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 113448260) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID113448260
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(C)CC1CCCC1)C1CCOC1
InChIInChI=1S/C15H30N2O/c1-3-16-15(14-8-9-18-12-14)11-17(2)10-13-6-4-5-7-13/h13-16H,3-12H2,1-2H3
InChIKeyIVKIFHTZMGBMDE-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746452
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N-ethyl-N'-methyl-1-(oxolan-3-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104744981
1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659
N'-cyclopentyl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448037
N-ethyl-N'-methyl-N'-(2-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745529
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
2-(cyclopentylmethylsulfanyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 113449540
1-cyclopropyl-N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63913494
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746803
N'-butan-2-yl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744742

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine (CID 113448260) is N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is CCNC(CN(C)CC1CCCC1)C1CCOC1.
What is the InChIKey of N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is IVKIFHTZMGBMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-15(14-8-9-18-12-14)11-17(2)10-13-6-4-5-7-13/h13-16H,3-12H2,1-2H3.
What are the key properties of N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 113448260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).