2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol

C12H26N2O — CID 115135505

IUPAC2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol
SMILESCN1CCC(CCNCC(C)(C)CO)C1
InChIInChI=1S/C12H26N2O/c1-12(2,10-15)9-13-6-4-11-5-7-14(3)8-11/h11,13,15H,4-10H2,1-3H3
InChIKeyBHAKZBUOAHZJQC-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.94
Rot. Bonds6

About 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol

2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol (PubChem CID 115135505) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol
PubChem CID115135505
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol
SMILESCN1CCC(CCNCC(C)(C)CO)C1
InChIInChI=1S/C12H26N2O/c1-12(2,10-15)9-13-6-4-11-5-7-14(3)8-11/h11,13,15H,4-10H2,1-3H3
InChIKeyBHAKZBUOAHZJQC-UHFFFAOYSA-N
XLogP0.94
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol (CID 115135505) is 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol is CN1CCC(CCNCC(C)(C)CO)C1.
What is the InChIKey of 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol?
The InChIKey is BHAKZBUOAHZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,10-15)9-13-6-4-11-5-7-14(3)8-11/h11,13,15H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol?
2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 115135505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).