1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol

C13H28N2O2 — CID 63990099

IUPAC1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol
SMILESCCCN(CC(O)COC(C)C)C1CCNC1
InChIInChI=1S/C13H28N2O2/c1-4-7-15(12-5-6-14-8-12)9-13(16)10-17-11(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyGJKYPHQEIMJSRJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds8

About 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol

1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol (PubChem CID 63990099) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol
PubChem CID63990099
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol
SMILESCCCN(CC(O)COC(C)C)C1CCNC1
InChIInChI=1S/C13H28N2O2/c1-4-7-15(12-5-6-14-8-12)9-13(16)10-17-11(2)3/h11-14,16H,4-10H2,1-3H3
InChIKeyGJKYPHQEIMJSRJ-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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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Related Compounds

3-hydroxy-4-[piperidin-4-yl(propyl)amino]butanoic acid
CID 82778625
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
1-ethoxy-3-[ethyl(piperidin-4-yl)amino]propan-2-ol
CID 63932998
1-[cyclopentyl(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78983735
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-ethyl-N-(3-methoxy-2-methylpropyl)pyrrolidin-3-amine
CID 116502156
methyl 2-phenyl-3-[propyl(pyrrolidin-3-yl)amino]propanoate
CID 64560589
1-[cyclobutyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 111488970
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
N-(2-methylpentan-3-yl)-N-propylpyrrolidin-3-amine
CID 63300198
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol (CID 63990099) is 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol is CCCN(CC(O)COC(C)C)C1CCNC1.
What is the InChIKey of 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol?
The InChIKey is GJKYPHQEIMJSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-7-15(12-5-6-14-8-12)9-13(16)10-17-11(2)3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol?
1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-[propyl(pyrrolidin-3-yl)amino]propan-2-ol is sourced from PubChem (CID 63990099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).