N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine

C17H36N2O — CID 104745066

IUPACN',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC(C)C)CC(C)C)C1CCOC1
InChIInChI=1S/C17H36N2O/c1-6-8-18-17(16-7-9-20-13-16)12-19(10-14(2)3)11-15(4)5/h14-18H,6-13H2,1-5H3
InChIKeyODWSYKYBIICXNA-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.01
Rot. Bonds10

About N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine

N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine (PubChem CID 104745066) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
PubChem CID104745066
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC(C)C)CC(C)C)C1CCOC1
InChIInChI=1S/C17H36N2O/c1-6-8-18-17(16-7-9-20-13-16)12-19(10-14(2)3)11-15(4)5/h14-18H,6-13H2,1-5H3
InChIKeyODWSYKYBIICXNA-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cycloheptyl-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104744950
N'-(1-ethylpiperidin-4-yl)-N'-methyl-1-(oxolan-3-yl)-N-propylethane-1,2-diamine
CID 104745572
1-(oxolan-3-yl)-N-propylbut-3-en-1-amine
CID 65330642
N-[2-cyclopentyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448527
N',N'-bis(cyclopropylmethyl)-N-ethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104746452
N-[2-cycloheptyloxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104749186
N'-(2-methoxyethyl)-N-methyl-N'-(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104745390
N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754712
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
N-[2-hexoxy-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 113448609
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The IUPAC name of N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine (CID 104745066) is N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine is CCCNC(CN(CC(C)C)CC(C)C)C1CCOC1.
What is the InChIKey of N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
The InChIKey is ODWSYKYBIICXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-8-18-17(16-7-9-20-13-16)12-19(10-14(2)3)11-15(4)5/h14-18H,6-13H2,1-5H3.
What are the key properties of N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine?
N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methylpropyl)-1-(oxolan-3-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 104745066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).