2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol

C14H26N2O2 — CID 103540761

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol
SMILESCOC1CCN(CC(CO)(NC2CC2)C2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-13-6-7-16(8-13)9-14(10-17,11-2-3-11)15-12-4-5-12/h11-13,15,17H,2-10H2,1H3
InChIKeyAALLNLMAJUYYJC-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.60
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol (PubChem CID 103540761) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol
PubChem CID103540761
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol
SMILESCOC1CCN(CC(CO)(NC2CC2)C2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-13-6-7-16(8-13)9-14(10-17,11-2-3-11)15-12-4-5-12/h11-13,15,17H,2-10H2,1H3
InChIKeyAALLNLMAJUYYJC-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol (CID 103540761) is 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol is COC1CCN(CC(CO)(NC2CC2)C2CC2)C1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol?
The InChIKey is AALLNLMAJUYYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-13-6-7-16(8-13)9-14(10-17,11-2-3-11)15-12-4-5-12/h11-13,15,17H,2-10H2,1H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(3-methoxypyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 103540761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).