3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol

C11H26N2O — CID 64827973

IUPAC3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CN(C)CC(C)(C)C
InChIInChI=1S/C11H26N2O/c1-6-12-10(8-14)7-13(5)9-11(2,3)4/h10,12,14H,6-9H2,1-5H3
InChIKeySVVSSVSKPMHKNS-UHFFFAOYSA-N
MW202.34 g/mol
LogP0.93
Rot. Bonds6

About 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol

3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol (PubChem CID 64827973) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol
PubChem CID64827973
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CN(C)CC(C)(C)C
InChIInChI=1S/C11H26N2O/c1-6-12-10(8-14)7-13(5)9-11(2,3)4/h10,12,14H,6-9H2,1-5H3
InChIKeySVVSSVSKPMHKNS-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol (CID 64827973) is 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol is CCNC(CO)CN(C)CC(C)(C)C.
What is the InChIKey of 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol?
The InChIKey is SVVSSVSKPMHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-6-12-10(8-14)7-13(5)9-11(2,3)4/h10,12,14H,6-9H2,1-5H3.
What are the key properties of 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol?
3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64827973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).