[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine

C11H23NO — CID 130647540

IUPAC[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine
SMILESCC(C)C(C)C1(CN)CCOCC1
InChIInChI=1S/C11H23NO/c1-9(2)10(3)11(8-12)4-6-13-7-5-11/h9-10H,4-8,12H2,1-3H3
InChIKeyIUSOPBZFKHOSOR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.03
Rot. Bonds3

About [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine

[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine (PubChem CID 130647540) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine
PubChem CID130647540
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine
SMILESCC(C)C(C)C1(CN)CCOCC1
InChIInChI=1S/C11H23NO/c1-9(2)10(3)11(8-12)4-6-13-7-5-11/h9-10H,4-8,12H2,1-3H3
InChIKeyIUSOPBZFKHOSOR-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015
[1-(3-methylbutan-2-yl)cyclohex-3-en-1-yl]methanamine
CID 130646430
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
ethane;4-ethyl-4-propan-2-yloxane
CID 177350688
(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
[4-(aminomethyl)oxan-4-yl]-(5-methylfuran-2-yl)methanol
CID 79134603
[4-(aminomethyl)oxan-4-yl]-(4-propan-2-yloxyphenyl)methanol
CID 79135593
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
4-(aminomethyl)-N,N-bis(2-methylpropyl)oxepan-4-amine
CID 65079214
4-(aminomethyl)oxan-4-amine
CID 43608727

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine (CID 130647540) is [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine is CC(C)C(C)C1(CN)CCOCC1.
What is the InChIKey of [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine?
The InChIKey is IUSOPBZFKHOSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)10(3)11(8-12)4-6-13-7-5-11/h9-10H,4-8,12H2,1-3H3.
What are the key properties of [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine?
[4-(3-methylbutan-2-yl)oxan-4-yl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutan-2-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 130647540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).