1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine

C9H18N2O — CID 82746077

IUPAC1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine
SMILESCN(C1CCOC1)C1CC(N)C1
InChIInChI=1S/C9H18N2O/c1-11(8-2-3-12-6-8)9-4-7(10)5-9/h7-9H,2-6,10H2,1H3
InChIKeyIQHIGSGTVJIPGO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.20
Rot. Bonds2

About 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine

1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine (PubChem CID 82746077) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine
PubChem CID82746077
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine
SMILESCN(C1CCOC1)C1CC(N)C1
InChIInChI=1S/C9H18N2O/c1-11(8-2-3-12-6-8)9-4-7(10)5-9/h7-9H,2-6,10H2,1H3
InChIKeyIQHIGSGTVJIPGO-UHFFFAOYSA-N
XLogP0.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxolan-3-yl)azetidin-3-amine
CID 66187761
2-N,3,5-trimethyl-2-N-(oxolan-3-yl)cyclohexane-1,2-diamine
CID 82734062
N-[(3-aminocyclopentyl)methyl]-N-methyloxolan-3-amine
CID 82739732
3-[methyl(oxolan-3-yl)amino]cyclohexan-1-ol
CID 82749082
3-amino-N-methyl-N-(oxolan-3-yl)cyclopentane-1-carboxamide
CID 81489575
N,N-diaminooxolan-3-amine
CID 123543095
N-methoxy-N-methyloxolan-3-amine
CID 142607541
N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230843
[1-amino-3-[methyl(oxolan-3-yl)amino]cyclopentyl]methanol
CID 82745481
3-amino-N-methyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119775453
N-[(3-bromocyclobutyl)methyl]-N-methyloxolan-3-amine
CID 80690224
N-[(2-amino-5-methylcyclohexyl)methyl]-N-methyloxolan-3-amine
CID 82744259

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine (CID 82746077) is 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine is CN(C1CCOC1)C1CC(N)C1.
What is the InChIKey of 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine?
The InChIKey is IQHIGSGTVJIPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11(8-2-3-12-6-8)9-4-7(10)5-9/h7-9H,2-6,10H2,1H3.
What are the key properties of 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine?
1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(oxolan-3-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 82746077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).