4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine

C13H27NO2 — CID 62382952

IUPAC4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine
SMILESCC(N)C(OCC1CCOCC1)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(14)12(13(2,3)4)16-9-11-5-7-15-8-6-11/h10-12H,5-9,14H2,1-4H3
InChIKeyPSYHQOVYMVKKON-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.19
Rot. Bonds4

About 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine

4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine (PubChem CID 62382952) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine
PubChem CID62382952
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine
SMILESCC(N)C(OCC1CCOCC1)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-10(14)12(13(2,3)4)16-9-11-5-7-15-8-6-11/h10-12H,5-9,14H2,1-4H3
InChIKeyPSYHQOVYMVKKON-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine
CID 66322799
2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol
CID 64811806
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
1-(oxan-4-ylmethoxy)-1-thiophen-3-ylpropan-2-amine
CID 62382577
2-(oxan-4-ylmethoxy)propanimidamide
CID 62383007
1-(2-bromophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 62382399
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
1-(3-fluorophenyl)-1-(oxan-4-ylmethoxy)propan-2-amine
CID 55066001
6-(oxan-4-ylmethoxy)hexan-2-amine
CID 62382428
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)pentanamide
CID 64721587

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine?
The IUPAC name of 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine (CID 62382952) is 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine?
The canonical SMILES for 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine is CC(N)C(OCC1CCOCC1)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine?
The InChIKey is PSYHQOVYMVKKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(14)12(13(2,3)4)16-9-11-5-7-15-8-6-11/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine?
4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine is sourced from PubChem (CID 62382952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).