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

C13H28N2O2 — CID 104891959

IUPAC3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCC(O)CN1CCCC1
InChIInChI=1S/C13H28N2O2/c1-11(2)13(5-8-16)14-9-12(17)10-15-6-3-4-7-15/h11-14,16-17H,3-10H2,1-2H3
InChIKeyUBZWRZXEOATGBO-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.44
Rot. Bonds8

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

3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol (PubChem CID 104891959) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol
PubChem CID104891959
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCC(O)CN1CCCC1
InChIInChI=1S/C13H28N2O2/c1-11(2)13(5-8-16)14-9-12(17)10-15-6-3-4-7-15/h11-14,16-17H,3-10H2,1-2H3
InChIKeyUBZWRZXEOATGBO-UHFFFAOYSA-N
XLogP0.44
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
CID 66106831
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81396165
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
1-(propan-2-ylamino)-3-(1,4-thiazepan-4-yl)propan-2-ol
CID 61419499
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-[1-(4-bromophenyl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 60729373
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
6-pyrrolidin-1-ylhexane-1,5-diol
CID 54441459
1-[[(1R)-1-(furan-2-yl)ethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81399781

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol (CID 104891959) is 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)NCC(O)CN1CCCC1.
What is the InChIKey of 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol?
The InChIKey is UBZWRZXEOATGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)13(5-8-16)14-9-12(17)10-15-6-3-4-7-15/h11-14,16-17H,3-10H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol?
3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 104891959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).