3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol

C12H26N2O2 — CID 114357613

IUPAC3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol
SMILESCCCC1CCN(C(CO)C(N)COC)C1
InChIInChI=1S/C12H26N2O2/c1-3-4-10-5-6-14(7-10)12(8-15)11(13)9-16-2/h10-12,15H,3-9,13H2,1-2H3
InChIKeyJHHBFUNNBBWJFN-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.44
Rot. Bonds7

About 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol

3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol (PubChem CID 114357613) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol
PubChem CID114357613
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol
SMILESCCCC1CCN(C(CO)C(N)COC)C1
InChIInChI=1S/C12H26N2O2/c1-3-4-10-5-6-14(7-10)12(8-15)11(13)9-16-2/h10-12,15H,3-9,13H2,1-2H3
InChIKeyJHHBFUNNBBWJFN-UHFFFAOYSA-N
XLogP0.44
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-methoxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 114357377
3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 104840511
3-amino-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-1-ol
CID 104840464
3-amino-2-[3-(methoxymethyl)piperidin-1-yl]hexan-1-ol
CID 106586650
3-amino-2-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 104840510
3-amino-4-methoxy-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 114356774
3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 114356429
3-amino-2-(3,4-dimethylpiperidin-1-yl)hexan-1-ol
CID 114357638
3-amino-2-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103495144
3-amino-2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-ol
CID 114271794
3-amino-3-cyclopropyl-2-(4-propylazepan-1-yl)propan-1-ol
CID 114357358
3-amino-2-(4-methoxypiperidin-1-yl)pentan-1-ol
CID 104840321

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol?
The IUPAC name of 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol (CID 114357613) is 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol.
What is the SMILES notation for 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol?
The canonical SMILES for 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol is CCCC1CCN(C(CO)C(N)COC)C1.
What is the InChIKey of 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol?
The InChIKey is JHHBFUNNBBWJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-4-10-5-6-14(7-10)12(8-15)11(13)9-16-2/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol?
3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-2-(3-propylpyrrolidin-1-yl)butan-1-ol is sourced from PubChem (CID 114357613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).