2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol

C12H25NO3 — CID 64811806

IUPAC2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol
SMILESCC(CC(C)(N)CO)OCC1CCOCC1
InChIInChI=1S/C12H25NO3/c1-10(7-12(2,13)9-14)16-8-11-3-5-15-6-4-11/h10-11,14H,3-9,13H2,1-2H3
InChIKeyKZULDYSFJXJOLQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.92
Rot. Bonds6

About 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol

2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol (PubChem CID 64811806) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol
PubChem CID64811806
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol
SMILESCC(CC(C)(N)CO)OCC1CCOCC1
InChIInChI=1S/C12H25NO3/c1-10(7-12(2,13)9-14)16-8-11-3-5-15-6-4-11/h10-11,14H,3-9,13H2,1-2H3
InChIKeyKZULDYSFJXJOLQ-UHFFFAOYSA-N
XLogP0.92
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(cyclopropylmethoxy)-2-methylpentan-1-ol
CID 64802601
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)pentanamide
CID 64721587
2-amino-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64811178
methyl 2-amino-2-methyl-4-(oxolan-3-ylmethoxy)pentanoate
CID 64708577
4,4-dimethyl-3-(oxan-4-ylmethoxy)pentan-2-amine
CID 62382952
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
2-(oxan-4-ylmethoxy)-N-propylpropan-1-amine
CID 62484584
4-(cyclopropylmethoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64803226
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
2-amino-4-(3-methoxypropoxy)-2-methylpentan-1-ol
CID 64810813
2-(oxan-4-ylmethoxy)propanimidamide
CID 62383007
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol (CID 64811806) is 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol is CC(CC(C)(N)CO)OCC1CCOCC1.
What is the InChIKey of 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol?
The InChIKey is KZULDYSFJXJOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(7-12(2,13)9-14)16-8-11-3-5-15-6-4-11/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol?
2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(oxan-4-ylmethoxy)pentan-1-ol is sourced from PubChem (CID 64811806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).