1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol

C11H26N2O2 — CID 62270239

IUPAC1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol
SMILESCCC(C)(CN)CN(C)CC(O)COC
InChIInChI=1S/C11H26N2O2/c1-5-11(2,8-12)9-13(3)6-10(14)7-15-4/h10,14H,5-9,12H2,1-4H3
InChIKeySPNGTHSDLALQGC-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.30
Rot. Bonds8

About 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol

1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 62270239) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol
PubChem CID62270239
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol
SMILESCCC(C)(CN)CN(C)CC(O)COC
InChIInChI=1S/C11H26N2O2/c1-5-11(2,8-12)9-13(3)6-10(14)7-15-4/h10,14H,5-9,12H2,1-4H3
InChIKeySPNGTHSDLALQGC-UHFFFAOYSA-N
XLogP0.30
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol (CID 62270239) is 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol is CCC(C)(CN)CN(C)CC(O)COC.
What is the InChIKey of 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is SPNGTHSDLALQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-5-11(2,8-12)9-13(3)6-10(14)7-15-4/h10,14H,5-9,12H2,1-4H3.
What are the key properties of 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol?
1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 218.34 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62270239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).