2,4-dimethyloxan-4-amine

C7H15NO — CID 22765765

IUPAC2,4-dimethyloxan-4-amine
SMILESCC1CC(C)(N)CCO1
InChIInChI=1S/C7H15NO/c1-6-5-7(2,8)3-4-9-6/h6H,3-5,8H2,1-2H3
InChIKeyBQTOQUPSHAAGQU-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.90
Rot. Bonds

About 2,4-dimethyloxan-4-amine

2,4-dimethyloxan-4-amine (PubChem CID 22765765) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2,4-dimethyloxan-4-amine.

Molecular Properties

Compound Name2,4-dimethyloxan-4-amine
PubChem CID22765765
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2,4-dimethyloxan-4-amine
SMILESCC1CC(C)(N)CCO1
InChIInChI=1S/C7H15NO/c1-6-5-7(2,8)3-4-9-6/h6H,3-5,8H2,1-2H3
InChIKeyBQTOQUPSHAAGQU-UHFFFAOYSA-N
XLogP0.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethyloxan-4-amine hydrochloride
CID 126836444
4-Propyloxan-4-amine hydrochloride
CID 170911901
2-Methyl-4-(trifluoromethyl)oxan-4-amine
CID 64137255
4-(Difluoromethyl)-2-methyloxan-4-amine
CID 80604189
2,6-Dimethyl-4-(trifluoromethyl)oxan-4-amine
CID 81853140
4-(Difluoromethyl)-2,6-dimethyloxan-4-amine
CID 81853191
4-(Difluoromethyl)-2-(trifluoromethyl)oxan-4-amine
CID 130546338
2,4,6-Trimethyloxan-4-amine
CID 18437324
2H-Pyran-4-carbonitrile, 4-aminotetrahydro-2-methyl-
CID 21355741
4-Isobutyltetrahydro-2H-pyran-4-amine
CID 58432663
4-Propyltetrahydro-2H-pyran-4-amine
CID 63220415
(4S)-2,4-dimethyloxan-4-amine
CID 89036017

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloxan-4-amine?
The IUPAC name of 2,4-dimethyloxan-4-amine (CID 22765765) is 2,4-dimethyloxan-4-amine.
What is the SMILES notation for 2,4-dimethyloxan-4-amine?
The canonical SMILES for 2,4-dimethyloxan-4-amine is CC1CC(C)(N)CCO1.
What is the InChIKey of 2,4-dimethyloxan-4-amine?
The InChIKey is BQTOQUPSHAAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-5-7(2,8)3-4-9-6/h6H,3-5,8H2,1-2H3.
What are the key properties of 2,4-dimethyloxan-4-amine?
2,4-dimethyloxan-4-amine has a molecular weight of 129.20 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloxan-4-amine is sourced from PubChem (CID 22765765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).