3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde

C14H24N2O — CID 59523388

IUPAC3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde
SMILESCCCCc1cc(CCCN(C)C)[nH]c1C=O
InChIInChI=1S/C14H24N2O/c1-4-5-7-12-10-13(15-14(12)11-17)8-6-9-16(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyPTECZZZVYHDLSW-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.66
Rot. Bonds8

About 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde

3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde (PubChem CID 59523388) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde
PubChem CID59523388
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde
SMILESCCCCc1cc(CCCN(C)C)[nH]c1C=O
InChIInChI=1S/C14H24N2O/c1-4-5-7-12-10-13(15-14(12)11-17)8-6-9-16(2)3/h10-11,15H,4-9H2,1-3H3
InChIKeyPTECZZZVYHDLSW-UHFFFAOYSA-N
XLogP2.66
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-N,N-dimethyl-1H-pyrrol-3-amine
CID 174965958
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
3-[4-butyl-5-[[3-butyl-5-(2-carboxyethylidene)pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]propyl-trimethylazanium
CID 91598484
3,4,5-tributyl-N,N-dimethylaniline
CID 170058767
4-butyl-2,5-dihydroxybenzaldehyde
CID 174681209
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
5-octadecyl-1H-pyrrole-2-carbaldehyde
CID 10360349
2-[4-(dimethylamino)butyl]pyrimidine-5-carbaldehyde
CID 96616634
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
acetaldehyde;N,N-dimethylhexan-1-amine;formaldehyde
CID 170732723
2,4-dipentylbenzaldehyde
CID 19008550

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde (CID 59523388) is 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde is CCCCc1cc(CCCN(C)C)[nH]c1C=O.
What is the InChIKey of 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde?
The InChIKey is PTECZZZVYHDLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-5-7-12-10-13(15-14(12)11-17)8-6-9-16(2)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde?
3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde has a molecular weight of 236.36 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-[3-(dimethylamino)propyl]-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 59523388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).