[4-(2,2-dimethylpropyl)oxan-4-yl]methanamine

C11H23NO — CID 82602217

IUPAC[4-(2,2-dimethylpropyl)oxan-4-yl]methanamine
SMILESCC(C)(C)CC1(CN)CCOCC1
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(9-12)4-6-13-7-5-11/h4-9,12H2,1-3H3
InChIKeyPWAVCMCMEZVCPU-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds2

About [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine

[4-(2,2-dimethylpropyl)oxan-4-yl]methanamine (PubChem CID 82602217) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2-dimethylpropyl)oxan-4-yl]methanamine
PubChem CID82602217
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[4-(2,2-dimethylpropyl)oxan-4-yl]methanamine
SMILESCC(C)(C)CC1(CN)CCOCC1
InChIInChI=1S/C11H23NO/c1-10(2,3)8-11(9-12)4-6-13-7-5-11/h4-9,12H2,1-3H3
InChIKeyPWAVCMCMEZVCPU-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine (CID 82602217) is [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine is CC(C)(C)CC1(CN)CCOCC1.
What is the InChIKey of [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine?
The InChIKey is PWAVCMCMEZVCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)8-11(9-12)4-6-13-7-5-11/h4-9,12H2,1-3H3.
What are the key properties of [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine?
[4-(2,2-dimethylpropyl)oxan-4-yl]methanamine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropyl)oxan-4-yl]methanamine is sourced from PubChem (CID 82602217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).