1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol

C11H24N2O — CID 107911987

IUPAC1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol
SMILESCCC(O)CCNCCN1CCCC1
InChIInChI=1S/C11H24N2O/c1-2-11(14)5-6-12-7-10-13-8-3-4-9-13/h11-12,14H,2-10H2,1H3
InChIKeyCTZGQLHFUJIKEY-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds7

About 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol

1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol (PubChem CID 107911987) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol
PubChem CID107911987
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol
SMILESCCC(O)CCNCCN1CCCC1
InChIInChI=1S/C11H24N2O/c1-2-11(14)5-6-12-7-10-13-8-3-4-9-13/h11-12,14H,2-10H2,1H3
InChIKeyCTZGQLHFUJIKEY-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 53215588
1-(azepan-1-yl)-2-(3-hydroxypentylamino)ethanone
CID 113497568
1-[2-(azepan-1-yl)ethylamino]propan-2-ol
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N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-[2-(azepan-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575903
1-(diethylamino)-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 54967373
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 62641762
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
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1-(azonan-1-yl)butan-2-ol
CID 130671766

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol?
The IUPAC name of 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol (CID 107911987) is 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol is CCC(O)CCNCCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol?
The InChIKey is CTZGQLHFUJIKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-2-11(14)5-6-12-7-10-13-8-3-4-9-13/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol?
1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethylamino)pentan-3-ol is sourced from PubChem (CID 107911987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).