N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine

C18H36N2O — CID 104746803

IUPACN'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(CCC(C)C)C1CCCC1)C1CCOC1
InChIInChI=1S/C18H36N2O/c1-4-19-18(16-10-12-21-14-16)13-20(11-9-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3
InChIKeyZWUNTLCXULCKHK-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds9

About N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine

N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 104746803) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID104746803
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCNC(CN(CCC(C)C)C1CCCC1)C1CCOC1
InChIInChI=1S/C18H36N2O/c1-4-19-18(16-10-12-21-14-16)13-20(11-9-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3
InChIKeyZWUNTLCXULCKHK-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopentyl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448037
N'-cyclopentyl-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744659
N'-cyclopropyl-N-ethyl-N'-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448139
N'-cyclopentyl-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746790
N-ethyl-N'-methyl-N',1-bis(oxolan-3-yl)ethane-1,2-diamine
CID 104746914
N,N'-dimethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745169
2-[cyclopropyl(3-methylbutyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752726
N-ethyl-N'-methyl-N'-(4-methylcyclohexyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745242
N'-(cyclopentylmethyl)-N-ethyl-N'-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 113448260
N,N',N'-triethyl-1-(oxolan-3-yl)propane-1,3-diamine
CID 79087913
N',1-dicyclopentyl-N-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 104746796
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'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 104746803) is N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CCNC(CN(CCC(C)C)C1CCCC1)C1CCOC1.
What is the InChIKey of N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ZWUNTLCXULCKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-19-18(16-10-12-21-14-16)13-20(11-9-15(2)3)17-7-5-6-8-17/h15-19H,4-14H2,1-3H3.
What are the key properties of N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-ethyl-N'-(3-methylbutyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 104746803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).