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

C10H22N2O2 — CID 64898082

IUPAC3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol
SMILESCC(N)C(CO)N(C)C1CCOCC1
InChIInChI=1S/C10H22N2O2/c1-8(11)10(7-13)12(2)9-3-5-14-6-4-9/h8-10,13H,3-7,11H2,1-2H3
InChIKeyAPSROGPQOXWMST-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.19
Rot. Bonds4

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

3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol (PubChem CID 64898082) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol
PubChem CID64898082
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol
SMILESCC(N)C(CO)N(C)C1CCOCC1
InChIInChI=1S/C10H22N2O2/c1-8(11)10(7-13)12(2)9-3-5-14-6-4-9/h8-10,13H,3-7,11H2,1-2H3
InChIKeyAPSROGPQOXWMST-UHFFFAOYSA-N
XLogP-0.19
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-2-[methyl(oxan-4-yl)amino]butan-1-ol
CID 114356718
3-N-methyl-3-N-(oxan-4-yl)butane-2,3-diamine
CID 61354370
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290
3-amino-2-[cyclopropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356557
3-amino-4-methyl-2-[methyl-(4-methylcyclohexyl)amino]pentan-1-ol
CID 114356872
N-methyl-N-(3-methylbutan-2-yl)oxan-4-amine
CID 130651987
2-[methyl(oxan-4-yl)amino]pentan-3-one
CID 64868191
3-amino-2-[(4-ethylcyclohexyl)-methylamino]pentan-1-ol
CID 113459480
3-amino-3-cyclopropyl-2-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 114356481
2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid
CID 64709217
3-methoxy-2-[methyl(oxan-4-yl)amino]propanoic acid
CID 103224554
1-N,3-N,2-trimethyl-3-N-(oxan-4-yl)butane-1,3-diamine
CID 79409675

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol?
The IUPAC name of 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol (CID 64898082) is 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol is CC(N)C(CO)N(C)C1CCOCC1.
What is the InChIKey of 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol?
The InChIKey is APSROGPQOXWMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(11)10(7-13)12(2)9-3-5-14-6-4-9/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol?
3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol has a molecular weight of 202.30 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[methyl(oxan-4-yl)amino]butan-1-ol is sourced from PubChem (CID 64898082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).