N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine

C9H19NO — CID 94930520

IUPACN-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
SMILESCCNC[C@@]1(C)CCCOC1
InChIInChI=1S/C9H19NO/c1-3-10-7-9(2)5-4-6-11-8-9/h10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyFRCIWOKKKIFPJZ-SECBINFHSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds3

About N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine

N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine (PubChem CID 94930520) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
PubChem CID94930520
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine
SMILESCCNC[C@@]1(C)CCCOC1
InChIInChI=1S/C9H19NO/c1-3-10-7-9(2)5-4-6-11-8-9/h10H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyFRCIWOKKKIFPJZ-SECBINFHSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(bromomethyl)-3-methyloxane
CID 124636948
4-(ethylaminomethyl)oxepan-4-ol
CID 65080985
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63740455
methanidyl-[(3-methyloxan-3-yl)methyl]azanium
CID 155624871
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741871
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N-[[3-(2-butoxyethyl)oxan-3-yl]methyl]ethanamine
CID 55149572
3-(ethylamino)-N-(3-methyloxan-3-yl)propane-1-sulfonamide
CID 114114574
N-[[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]oxan-3-yl]methyl]ethanamine
CID 104960751
N-[(3-methyloxolan-3-yl)methyl]cyclobutanamine
CID 130621360

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine (CID 94930520) is N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine is CCNC[C@@]1(C)CCCOC1.
What is the InChIKey of N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine?
The InChIKey is FRCIWOKKKIFPJZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-10-7-9(2)5-4-6-11-8-9/h10H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine?
N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-methyloxan-3-yl]methyl]ethanamine is sourced from PubChem (CID 94930520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).