1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine

C11H22N2O — CID 80561605

IUPAC1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
SMILESCCN(CC1CCCO1)C1CC(N)C1
InChIInChI=1S/C11H22N2O/c1-2-13(10-6-9(12)7-10)8-11-4-3-5-14-11/h9-11H,2-8,12H2,1H3
InChIKeyXMFXZWQLCRJKRR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds4

About 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine

1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine (PubChem CID 80561605) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
PubChem CID80561605
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
SMILESCCN(CC1CCCO1)C1CC(N)C1
InChIInChI=1S/C11H22N2O/c1-2-13(10-6-9(12)7-10)8-11-4-3-5-14-11/h9-11H,2-8,12H2,1H3
InChIKeyXMFXZWQLCRJKRR-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79115797
N-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 61434221
[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol
CID 79656703
4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116059
2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopent-2-en-1-amine
CID 79207174
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 63044910
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62776848
[1-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]cyclohexyl]methanol
CID 79635541
N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 43264170

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine (CID 80561605) is 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine is CCN(CC1CCCO1)C1CC(N)C1.
What is the InChIKey of 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine?
The InChIKey is XMFXZWQLCRJKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-13(10-6-9(12)7-10)8-11-4-3-5-14-11/h9-11H,2-8,12H2,1H3.
What are the key properties of 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine?
1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80561605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).