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

C10H22N2O — CID 63556391

IUPACN'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)C1CCOC1
InChIInChI=1S/C10H22N2O/c1-3-12(7-9(2)6-11)10-4-5-13-8-10/h9-10H,3-8,11H2,1-2H3
InChIKeyIWNCMZRLLPVXAJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds5

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

N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine (PubChem CID 63556391) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
PubChem CID63556391
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
SMILESCCN(CC(C)CN)C1CCOC1
InChIInChI=1S/C10H22N2O/c1-3-12(7-9(2)6-11)10-4-5-13-8-10/h9-10H,3-8,11H2,1-2H3
InChIKeyIWNCMZRLLPVXAJ-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(oxolan-3-yl)amino]-2-methylpropanenitrile
CID 63557953
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
N',2-dimethyl-N'-(oxolan-3-yl)pentane-1,5-diamine
CID 82739452
3-N-ethyl-3-N-(2-methylbutyl)oxane-3,4-diamine
CID 79477724
N,2-dimethyl-N-(oxolan-3-yl)butane-1,4-diamine
CID 82740013
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
3-[ethyl(2-methylbutyl)amino]oxan-4-ol
CID 115278519
N-(3-amino-2-methylpropyl)-N-ethyloxane-4-sulfonamide
CID 62048608
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
1-ethyl-2-methyl-1-[(3S)-oxolan-3-yl]hydrazine
CID 167271986
N'-cyclopentyl-N'-ethyl-2-propan-2-ylpropane-1,3-diamine
CID 65228278
N'-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63558740

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine (CID 63556391) is N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine is CCN(CC(C)CN)C1CCOC1.
What is the InChIKey of N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
The InChIKey is IWNCMZRLLPVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-12(7-9(2)6-11)10-4-5-13-8-10/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine?
N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N'-(oxolan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 63556391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).