2-propan-2-yloxan-3-amine

C8H17NO — CID 79365776

IUPAC2-propan-2-yloxan-3-amine
SMILESCC(C)C1OCCCC1N
InChIInChI=1S/C8H17NO/c1-6(2)8-7(9)4-3-5-10-8/h6-8H,3-5,9H2,1-2H3
InChIKeyCBOZYZLOSKLJLW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About 2-propan-2-yloxan-3-amine

2-propan-2-yloxan-3-amine (PubChem CID 79365776) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-propan-2-yloxan-3-amine.

Molecular Properties

Compound Name2-propan-2-yloxan-3-amine
PubChem CID79365776
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-propan-2-yloxan-3-amine
SMILESCC(C)C1OCCCC1N
InChIInChI=1S/C8H17NO/c1-6(2)8-7(9)4-3-5-10-8/h6-8H,3-5,9H2,1-2H3
InChIKeyCBOZYZLOSKLJLW-UHFFFAOYSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Propan-2-yl)oxan-4-amine
CID 46785833
2-(2-Methylpropyl)oxan-4-amine
CID 64104920
2-(Pentan-3-yl)oxan-4-amine
CID 64106641
2-(2-Methylpropyl)oxan-3-amine hydrochloride
CID 75423686
2-(Oxan-2-yl)propan-1-amine
CID 84064178
Cyclopropyl(oxan-2-yl)methanamine
CID 84064330
(2-(Propan-2-yl)oxan-4-yl)methanamine hydrochloride
CID 121552613
2-Tert-butyloxan-3-amine;hydrochloride
CID 139026529
2-Ethyloxan-3-amine hydrochloride
CID 165994657
5-Fluoro-2,4,6-trimethyloxan-3-amine
CID 59938457
2-Ethyloxan-3-amine
CID 79371626
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxan-3-amine?
The IUPAC name of 2-propan-2-yloxan-3-amine (CID 79365776) is 2-propan-2-yloxan-3-amine.
What is the SMILES notation for 2-propan-2-yloxan-3-amine?
The canonical SMILES for 2-propan-2-yloxan-3-amine is CC(C)C1OCCCC1N.
What is the InChIKey of 2-propan-2-yloxan-3-amine?
The InChIKey is CBOZYZLOSKLJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)8-7(9)4-3-5-10-8/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 2-propan-2-yloxan-3-amine?
2-propan-2-yloxan-3-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxan-3-amine is sourced from PubChem (CID 79365776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).