2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol

C12H26N2O2 — CID 64791608

IUPAC2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
SMILESCN(CCC(C)(N)CO)CC1CCCOC1
InChIInChI=1S/C12H26N2O2/c1-12(13,10-15)5-6-14(2)8-11-4-3-7-16-9-11/h11,15H,3-10,13H2,1-2H3
InChIKeyIDVGONNCELJRKO-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol

2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol (PubChem CID 64791608) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
PubChem CID64791608
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
SMILESCN(CCC(C)(N)CO)CC1CCCOC1
InChIInChI=1S/C12H26N2O2/c1-12(13,10-15)5-6-14(2)8-11-4-3-7-16-9-11/h11,15H,3-10,13H2,1-2H3
InChIKeyIDVGONNCELJRKO-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutan-1-ol
CID 64787239
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 63711953
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
2-amino-2-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]propan-1-ol
CID 64789409
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791814
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63712139

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol (CID 64791608) is 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol is CN(CCC(C)(N)CO)CC1CCCOC1.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol?
The InChIKey is IDVGONNCELJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(13,10-15)5-6-14(2)8-11-4-3-7-16-9-11/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol?
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.44, 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-[methyl(oxan-3-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 64791608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).