2-methyloxan-4-amine

C6H13NO — CID 23123995

IUPAC2-methyloxan-4-amine
SMILESCC1CC(N)CCO1
InChIInChI=1S/C6H13NO/c1-5-4-6(7)2-3-8-5/h5-6H,2-4,7H2,1H3
InChIKeyQPXXGRHIYAAMDU-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds

About 2-methyloxan-4-amine

2-methyloxan-4-amine (PubChem CID 23123995) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-methyloxan-4-amine.

Molecular Properties

Compound Name2-methyloxan-4-amine
PubChem CID23123995
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-methyloxan-4-amine
SMILESCC1CC(N)CCO1
InChIInChI=1S/C6H13NO/c1-5-4-6(7)2-3-8-5/h5-6H,2-4,7H2,1H3
InChIKeyQPXXGRHIYAAMDU-UHFFFAOYSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Dimethyloxan-4-amine
CID 420586
2,2-Dimethyloxan-4-amine
CID 3809203
2-(Oxan-2-yl)ethan-1-amine
CID 17750935
Tetrahydro-alpha-methyl-2H-pyran-2-methanamine
CID 21843651
2-Ethyloxan-4-amine
CID 23124001
rac-(2R,6S)-2,6-dimethyloxan-4-amine
CID 66733532
rac-(2R,4R)-2-methyloxan-4-amine hydrochloride
CID 118868154
2-(Trifluoromethyl)oxan-4-amine
CID 130167257
rac-(2R,4R)-2-ethyloxan-4-amine hydrochloride
CID 145910135
rac-(2R,4S)-2-methyloxan-4-amine hydrochloride
CID 154796566
N,2-dimethyloxan-4-amine hydrochloride
CID 154857191
2-Ethynyloxan-4-amine hydrochloride
CID 155821786

Frequently Asked Questions

What is the IUPAC name of 2-methyloxan-4-amine?
The IUPAC name of 2-methyloxan-4-amine (CID 23123995) is 2-methyloxan-4-amine.
What is the SMILES notation for 2-methyloxan-4-amine?
The canonical SMILES for 2-methyloxan-4-amine is CC1CC(N)CCO1.
What is the InChIKey of 2-methyloxan-4-amine?
The InChIKey is QPXXGRHIYAAMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-4-6(7)2-3-8-5/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-methyloxan-4-amine?
2-methyloxan-4-amine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxan-4-amine is sourced from PubChem (CID 23123995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).