1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine

C13H25NO — CID 65164623

IUPAC1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)C1CCC1
InChIInChI=1S/C13H25NO/c1-14-13(11-5-2-6-11)9-3-7-12-8-4-10-15-12/h11-14H,2-10H2,1H3
InChIKeyROCKWIFGEZPMOS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds6

About 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine

1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65164623) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID65164623
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine
SMILESCNC(CCCC1CCCO1)C1CCC1
InChIInChI=1S/C13H25NO/c1-14-13(11-5-2-6-11)9-3-7-12-8-4-10-15-12/h11-14H,2-10H2,1H3
InChIKeyROCKWIFGEZPMOS-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(oxolan-2-yl)-1-(oxolan-3-yl)butan-1-amine
CID 65330358
N-methyl-1-(3-methylcyclopentyl)-4-(oxolan-2-yl)butan-1-amine
CID 65413363
N-methyl-1-(3-methylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164399
1-cyclohexyl-1-methoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 116771534
1-(3,4-dihydro-2H-chromen-3-yl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65410695
1-cyclobutyl-4-(oxolan-2-yl)butan-1-ol
CID 65167122
1-(4-ethylcyclohexyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 104991042
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166
[1-cycloheptyl-3-(oxolan-2-yl)propyl]hydrazine
CID 105231964
N-methyl-4-(oxolan-2-yl)-1-(4-propylmorpholin-2-yl)butan-1-amine
CID 79657476
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine (CID 65164623) is 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine is CNC(CCCC1CCCO1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is ROCKWIFGEZPMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-13(11-5-2-6-11)9-3-7-12-8-4-10-15-12/h11-14H,2-10H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine?
1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65164623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).