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

C12H26N2O2 — CID 64819145

IUPAC1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
SMILESCN(CCC(C)(O)CN)CC1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-12(15,10-13)5-6-14(2)9-11-3-7-16-8-4-11/h11,15H,3-10,13H2,1-2H3
InChIKeyJXVSAWBMPFWMJB-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.44
Rot. Bonds6

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

1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol (PubChem CID 64819145) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
PubChem CID64819145
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
SMILESCN(CCC(C)(O)CN)CC1CCOCC1
InChIInChI=1S/C12H26N2O2/c1-12(15,10-13)5-6-14(2)9-11-3-7-16-8-4-11/h11,15H,3-10,13H2,1-2H3
InChIKeyJXVSAWBMPFWMJB-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-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
N'-hydroxy-3-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942668
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butanenitrile
CID 63713353
2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
CID 103152553
1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
CID 113497188
1-amino-3-[cyclohexylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 64819127
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
3-N,3-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 115134884

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol (CID 64819145) is 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol is CN(CCC(C)(O)CN)CC1CCOCC1.
What is the InChIKey of 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol?
The InChIKey is JXVSAWBMPFWMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-12(15,10-13)5-6-14(2)9-11-3-7-16-8-4-11/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol?
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-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 1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 64819145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).