1-(2-methyloxan-4-yl)ethanamine

C8H17NO — CID 66437855

IUPAC1-(2-methyloxan-4-yl)ethanamine
SMILESCC1CC(C(C)N)CCO1
InChIInChI=1S/C8H17NO/c1-6-5-8(7(2)9)3-4-10-6/h6-8H,3-5,9H2,1-2H3
InChIKeyLWOBPVBBEADEBJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About 1-(2-methyloxan-4-yl)ethanamine

1-(2-methyloxan-4-yl)ethanamine (PubChem CID 66437855) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(2-methyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-methyloxan-4-yl)ethanamine
PubChem CID66437855
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-(2-methyloxan-4-yl)ethanamine
SMILESCC1CC(C(C)N)CCO1
InChIInChI=1S/C8H17NO/c1-6-5-8(7(2)9)3-4-10-6/h6-8H,3-5,9H2,1-2H3
InChIKeyLWOBPVBBEADEBJ-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

(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832
(1R)-1-[(2S,4R)-2-methyloxan-4-yl]ethanol
CID 97044423
(1S)-1-[(2R,4R)-2-methyloxan-4-yl]ethanol
CID 124526820
2-methyloxetane;propan-2-amine
CID 18626824
1-(2-methyloxan-4-yl)propan-1-amine
CID 79308467
4-(1-chloropropyl)-2-methyloxane
CID 79308102
1-[3-(1-aminoethyl)cyclopentyl]ethanamine
CID 68748757
methyl 2-hydroxy-2-(2-methyloxan-4-yl)acetate
CID 66290660
(2-methyloxan-4-yl)phosphane
CID 156867096
1-[1-(2-methyloxolan-3-yl)piperidin-4-yl]ethanamine
CID 82717542
(4R)-2,4-dimethyloxane
CID 129313541
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-4-yl)ethanamine?
The IUPAC name of 1-(2-methyloxan-4-yl)ethanamine (CID 66437855) is 1-(2-methyloxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2-methyloxan-4-yl)ethanamine?
The canonical SMILES for 1-(2-methyloxan-4-yl)ethanamine is CC1CC(C(C)N)CCO1.
What is the InChIKey of 1-(2-methyloxan-4-yl)ethanamine?
The InChIKey is LWOBPVBBEADEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-5-8(7(2)9)3-4-10-6/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 1-(2-methyloxan-4-yl)ethanamine?
1-(2-methyloxan-4-yl)ethanamine 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 1-(2-methyloxan-4-yl)ethanamine is sourced from PubChem (CID 66437855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).