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

C11H24N2O — CID 106933690

IUPAC(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
SMILESCC(C)N(CC1CCCN1)C[C@@H](C)O
InChIInChI=1S/C11H24N2O/c1-9(2)13(7-10(3)14)8-11-5-4-6-12-11/h9-12,14H,4-8H2,1-3H3/t10-,11?/m1/s1
InChIKeyCYVRBWQSUKTPIA-NFJWQWPMSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds5

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

(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol (PubChem CID 106933690) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
PubChem CID106933690
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
SMILESCC(C)N(CC1CCCN1)C[C@@H](C)O
InChIInChI=1S/C11H24N2O/c1-9(2)13(7-10(3)14)8-11-5-4-6-12-11/h9-12,14H,4-8H2,1-3H3/t10-,11?/m1/s1
InChIKeyCYVRBWQSUKTPIA-NFJWQWPMSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
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
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
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
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]butan-2-ol
CID 106616555
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 177210581

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol (CID 106933690) is (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol is CC(C)N(CC1CCCN1)C[C@@H](C)O.
What is the InChIKey of (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
The InChIKey is CYVRBWQSUKTPIA-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)13(7-10(3)14)8-11-5-4-6-12-11/h9-12,14H,4-8H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol?
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 106933690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).