4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol

C12H26N2O2 — CID 66106831

IUPAC4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCC(O)CN1CCCC1
InChIInChI=1S/C12H26N2O2/c1-11(4-7-15)8-13-9-12(16)10-14-5-2-3-6-14/h11-13,15-16H,2-10H2,1H3
InChIKeySVTIHWXVLZLMJB-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.05
Rot. Bonds8

About 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol

4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol (PubChem CID 66106831) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
PubChem CID66106831
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCC(O)CN1CCCC1
InChIInChI=1S/C12H26N2O2/c1-11(4-7-15)8-13-9-12(16)10-14-5-2-3-6-14/h11-13,15-16H,2-10H2,1H3
InChIKeySVTIHWXVLZLMJB-UHFFFAOYSA-N
XLogP0.05
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol
CID 104891959
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 62991174
3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
CID 65111953
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol (CID 66106831) is 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol is CC(CCO)CNCC(O)CN1CCCC1.
What is the InChIKey of 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol?
The InChIKey is SVTIHWXVLZLMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-11(4-7-15)8-13-9-12(16)10-14-5-2-3-6-14/h11-13,15-16H,2-10H2,1H3.
What are the key properties of 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol?
4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 66106831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).