(3-Methyloxan-4-yl)methanamine

C7H15NO — CID 76224324

IUPAC(3-methyloxan-4-yl)methanamine
SMILESCC1COCCC1CN
InChIInChI=1S/C7H15NO/c1-6-5-9-3-2-7(6)4-8/h6-7H,2-5,8H2,1H3
InChIKeyNJEBROTUBZVEGR-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.30
Rot. Bonds1

About (3-Methyloxan-4-yl)methanamine

(3-Methyloxan-4-yl)methanamine (PubChem CID 76224324) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3-methyloxan-4-yl)methanamine.

Molecular Properties

Compound Name(3-Methyloxan-4-yl)methanamine
PubChem CID76224324
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3-methyloxan-4-yl)methanamine
SMILESCC1COCCC1CN
InChIInChI=1S/C7H15NO/c1-6-5-9-3-2-7(6)4-8/h6-7H,2-5,8H2,1H3
InChIKeyNJEBROTUBZVEGR-UHFFFAOYSA-N
XLogP0.30
TPSA35.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity85

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Oxan-4-yl)ethan-1-amine
CID 2773198
4-Aminomethyltetrahydropyran
CID 2773210
2-(Oxan-3-yl)ethan-1-amine
CID 19101440
1-(Oxan-4-yl)ethan-1-amine
CID 21054631
Tetrahydro-N-methyl-2H-pyran-4-methanamine
CID 22225668
(Oxan-4-yl)methanamine hydrochloride
CID 44118690
(4-Methyloxan-4-yl)methanamine
CID 54165201
(R)-1-(Tetrahydro-2H-pyran-4-YL)ethanamine
CID 58368062
(S)-1-(Tetrahydro-2H-pyran-4-YL)ethanamine
CID 67033300
(1R)-1-(oxan-4-yl)ethan-1-amine hydrochloride
CID 67034028
(1S)-1-(oxan-4-yl)ethan-1-amine hydrochloride
CID 67034328
2-(Oxolan-3-yl)propan-1-amine
CID 82593782

Frequently Asked Questions

What is the IUPAC name of (3-Methyloxan-4-yl)methanamine?
The IUPAC name of (3-Methyloxan-4-yl)methanamine (CID 76224324) is (3-methyloxan-4-yl)methanamine.
What is the SMILES notation for (3-Methyloxan-4-yl)methanamine?
The canonical SMILES for (3-Methyloxan-4-yl)methanamine is CC1COCCC1CN.
What is the InChIKey of (3-Methyloxan-4-yl)methanamine?
The InChIKey is NJEBROTUBZVEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-5-9-3-2-7(6)4-8/h6-7H,2-5,8H2,1H3.
What are the key properties of (3-Methyloxan-4-yl)methanamine?
(3-Methyloxan-4-yl)methanamine has a molecular weight of 129.20 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-Methyloxan-4-yl)methanamine is sourced from PubChem (CID 76224324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).