2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol

C13H28N2O2 — CID 64827530

IUPAC2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN(C)CC1CCCO1
InChIInChI=1S/C13H28N2O2/c1-11(2)14-13(3,10-16)9-15(4)8-12-6-5-7-17-12/h11-12,14,16H,5-10H2,1-4H3
InChIKeyRDQJIRJFMJQEMI-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds7

About 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol

2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64827530) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64827530
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN(C)CC1CCCO1
InChIInChI=1S/C13H28N2O2/c1-11(2)14-13(3,10-16)9-15(4)8-12-6-5-7-17-12/h11-12,14,16H,5-10H2,1-4H3
InChIKeyRDQJIRJFMJQEMI-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64827530) is 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(C)(CO)CN(C)CC1CCCO1.
What is the InChIKey of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is RDQJIRJFMJQEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)14-13(3,10-16)9-15(4)8-12-6-5-7-17-12/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol?
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64827530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).