4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine

C13H27NO2 — CID 128989924

IUPAC4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine
SMILESCOCCC(C)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)13-12(6-8-16-13)9-14-11(3)5-7-15-4/h10-14H,5-9H2,1-4H3/t11?,12-,13-/m1/s1
InChIKeyKWOSZNMADUODDM-VFRRUGBOSA-N
MW229.36 g/mol
LogP2.06
Rot. Bonds7

About 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine

4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine (PubChem CID 128989924) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine
PubChem CID128989924
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine
SMILESCOCCC(C)NC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C13H27NO2/c1-10(2)13-12(6-8-16-13)9-14-11(3)5-7-15-4/h10-14H,5-9H2,1-4H3/t11?,12-,13-/m1/s1
InChIKeyKWOSZNMADUODDM-VFRRUGBOSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine with MolForge

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Related Compounds

N-[(2-propan-2-yloxolan-3-yl)methyl]hex-5-en-2-amine
CID 104582900
1-ethoxy-N-[(2-propan-2-yloxolan-3-yl)methyl]propan-2-amine
CID 115726718
N-[(2-propan-2-yloxolan-3-yl)methyl]pentan-3-amine
CID 115726723
N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 128999444
(2R)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butan-2-amine
CID 129331874
N-[[2-(1-methoxypropan-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 116503548
N-[(2-pentan-3-yloxolan-3-yl)methyl]propan-2-amine
CID 79368733
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384
2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butan-1-amine
CID 115887817
1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride
CID 115683912
N-[(2-methyloxolan-3-yl)methyl]butan-2-amine
CID 79760229
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine?
The IUPAC name of 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine (CID 128989924) is 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine.
What is the SMILES notation for 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine?
The canonical SMILES for 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine is COCCC(C)NC[C@H]1CCO[C@@H]1C(C)C.
What is the InChIKey of 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine?
The InChIKey is KWOSZNMADUODDM-VFRRUGBOSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(2)13-12(6-8-16-13)9-14-11(3)5-7-15-4/h10-14H,5-9H2,1-4H3/t11?,12-,13-/m1/s1.
What are the key properties of 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine?
4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 128989924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).