1-(2,2-dimethyloxan-4-yl)butan-1-amine

C11H23NO — CID 83047863

IUPAC1-(2,2-dimethyloxan-4-yl)butan-1-amine
SMILESCCCC(N)C1CCOC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-4-5-10(12)9-6-7-13-11(2,3)8-9/h9-10H,4-8,12H2,1-3H3
InChIKeyPLZWYBWALLJBLQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds3

About 1-(2,2-dimethyloxan-4-yl)butan-1-amine

1-(2,2-dimethyloxan-4-yl)butan-1-amine (PubChem CID 83047863) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)butan-1-amine
PubChem CID83047863
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(2,2-dimethyloxan-4-yl)butan-1-amine
SMILESCCCC(N)C1CCOC(C)(C)C1
InChIInChI=1S/C11H23NO/c1-4-5-10(12)9-6-7-13-11(2,3)8-9/h9-10H,4-8,12H2,1-3H3
InChIKeyPLZWYBWALLJBLQ-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(oxolan-3-yl)butan-1-amine
CID 63564938
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
1-(2-ethyl-2-methyloxan-4-yl)propan-1-amine
CID 79307561
(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
1-(2,2-dimethyloxan-4-yl)-N-ethylpropan-1-amine
CID 79307577
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
(1R)-1-cyclobutylbutan-1-amine
CID 55293085

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)butan-1-amine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)butan-1-amine (CID 83047863) is 1-(2,2-dimethyloxan-4-yl)butan-1-amine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)butan-1-amine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)butan-1-amine is CCCC(N)C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)butan-1-amine?
The InChIKey is PLZWYBWALLJBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-10(12)9-6-7-13-11(2,3)8-9/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)butan-1-amine?
1-(2,2-dimethyloxan-4-yl)butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)butan-1-amine is sourced from PubChem (CID 83047863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).