3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol

C10H18N2O — CID 115686305

IUPAC3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
SMILESCCC(CCO)NCc1cc[nH]c1
InChIInChI=1S/C10H18N2O/c1-2-10(4-6-13)12-8-9-3-5-11-7-9/h3,5,7,10-13H,2,4,6,8H2,1H3
InChIKeyAIBLVCDYLGMMDA-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.27
Rot. Bonds6

About 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol

3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol (PubChem CID 115686305) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
PubChem CID115686305
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
SMILESCCC(CCO)NCc1cc[nH]c1
InChIInChI=1S/C10H18N2O/c1-2-10(4-6-13)12-8-9-3-5-11-7-9/h3,5,7,10-13H,2,4,6,8H2,1H3
InChIKeyAIBLVCDYLGMMDA-UHFFFAOYSA-N
XLogP1.27
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol
CID 115686338
1-cyclopropyl-N-(1H-pyrrol-3-ylmethyl)butan-2-amine
CID 66410514
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenyl]acetic acid
CID 103267723
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
3-[(3,4-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449243
3-[(2,6-dimethylphenyl)methylamino]pentan-1-ol
CID 115897848
2-methyl-2-(1H-pyrrol-3-ylmethylamino)butan-1-ol
CID 66408555
2-[(4-fluorophenyl)methylamino]butan-1-ol;hydrochloride
CID 17290154
2-[4-[(1-hydroxypentan-3-ylamino)methyl]phenoxy]acetamide
CID 115644676
3-[(3-propoxyphenyl)methylamino]pentan-1-ol
CID 115644712

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol?
The IUPAC name of 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol (CID 115686305) is 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol.
What is the SMILES notation for 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol?
The canonical SMILES for 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol is CCC(CCO)NCc1cc[nH]c1.
What is the InChIKey of 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol?
The InChIKey is AIBLVCDYLGMMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-10(4-6-13)12-8-9-3-5-11-7-9/h3,5,7,10-13H,2,4,6,8H2,1H3.
What are the key properties of 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol?
3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-ylmethylamino)pentan-1-ol is sourced from PubChem (CID 115686305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).