3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol

C14H26N2O — CID 66443840

IUPAC3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCCn1cccc1CNCC(O)(CC)CC
InChIInChI=1S/C14H26N2O/c1-4-9-16-10-7-8-13(16)11-15-12-14(17,5-2)6-3/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3
InChIKeyNWUYYQDPJPSYHB-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.54
Rot. Bonds8

About 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol

3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol (PubChem CID 66443840) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
PubChem CID66443840
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCCn1cccc1CNCC(O)(CC)CC
InChIInChI=1S/C14H26N2O/c1-4-9-16-10-7-8-13(16)11-15-12-14(17,5-2)6-3/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3
InChIKeyNWUYYQDPJPSYHB-UHFFFAOYSA-N
XLogP2.54
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(4-methylpiperazin-1-yl)-N-[(1-propylpyrrol-2-yl)methyl]propan-1-amine
CID 66413668
tert-butyl N-[2-methyl-1-[(1-propylpyrrol-2-yl)methylamino]propan-2-yl]carbamate
CID 107249905
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
2-(hydroxymethyl)-2-[(1-propylpyrrol-2-yl)methylamino]propane-1,3-diol
CID 114008971
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
3-[(1-ethylpyrrol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66445604
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467
1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66444599

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol (CID 66443840) is 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol is CCCn1cccc1CNCC(O)(CC)CC.
What is the InChIKey of 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is NWUYYQDPJPSYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-9-16-10-7-8-13(16)11-15-12-14(17,5-2)6-3/h7-8,10,15,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol?
3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 238.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propylpyrrol-2-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 66443840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).