2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol

C12H26N2O — CID 106614823

IUPAC2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
SMILESCC(CO)CN(CC1CCCN1)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)14(7-11(3)9-15)8-12-5-4-6-13-12/h10-13,15H,4-9H2,1-3H3
InChIKeyBIBOZZQACHTKNQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds6

About 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol

2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol (PubChem CID 106614823) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
PubChem CID106614823
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
SMILESCC(CO)CN(CC1CCCN1)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)14(7-11(3)9-15)8-12-5-4-6-13-12/h10-13,15H,4-9H2,1-3H3
InChIKeyBIBOZZQACHTKNQ-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
CID 106614541
2,2-dimethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603129
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632099
N-[[(2S)-pyrrolidin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 102819434
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol (CID 106614823) is 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol is CC(CO)CN(CC1CCCN1)C(C)C.
What is the InChIKey of 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol?
The InChIKey is BIBOZZQACHTKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)14(7-11(3)9-15)8-12-5-4-6-13-12/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol?
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol is sourced from PubChem (CID 106614823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).