4-(3,3-dimethylbutyl)oxan-4-amine

C11H23NO — CID 63220278

IUPAC4-(3,3-dimethylbutyl)oxan-4-amine
SMILESCC(C)(C)CCC1(N)CCOCC1
InChIInChI=1S/C11H23NO/c1-10(2,3)4-5-11(12)6-8-13-9-7-11/h4-9,12H2,1-3H3
InChIKeyJHCPUZVEUZACLK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.32
Rot. Bonds2

About 4-(3,3-dimethylbutyl)oxan-4-amine

4-(3,3-dimethylbutyl)oxan-4-amine (PubChem CID 63220278) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)oxan-4-amine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)oxan-4-amine
PubChem CID63220278
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(3,3-dimethylbutyl)oxan-4-amine
SMILESCC(C)(C)CCC1(N)CCOCC1
InChIInChI=1S/C11H23NO/c1-10(2,3)4-5-11(12)6-8-13-9-7-11/h4-9,12H2,1-3H3
InChIKeyJHCPUZVEUZACLK-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(3,3-dimethylbutyl)cycloheptan-1-amine
CID 62622521
4-(2-methoxyethyl)oxan-4-amine
CID 63220638
1-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63411887
4-(3,3-dimethylbutyl)oxane-4-carbonitrile
CID 65393336
4-heptyloxan-4-amine
CID 63220508
2-(4-aminooxan-4-yl)propan-2-ol
CID 83682189
4-(aminomethyl)oxan-4-amine
CID 43608727
1-(3,3-dimethylbutyl)cyclohex-3-en-1-amine
CID 131097625
3-(3,3-dimethylbutyl)-2-methyloxolan-3-amine
CID 114535392
4-(3-methylbutyl)oxepan-4-amine
CID 65077222
4-(4,4-dimethylpentyl)oxane-4-carboxylic acid
CID 58052435
1-(4,4-difluoro-3,3-dimethylbutyl)cyclopropan-1-amine
CID 105436965

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)oxan-4-amine?
The IUPAC name of 4-(3,3-dimethylbutyl)oxan-4-amine (CID 63220278) is 4-(3,3-dimethylbutyl)oxan-4-amine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)oxan-4-amine?
The canonical SMILES for 4-(3,3-dimethylbutyl)oxan-4-amine is CC(C)(C)CCC1(N)CCOCC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)oxan-4-amine?
The InChIKey is JHCPUZVEUZACLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)4-5-11(12)6-8-13-9-7-11/h4-9,12H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)oxan-4-amine?
4-(3,3-dimethylbutyl)oxan-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)oxan-4-amine is sourced from PubChem (CID 63220278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).