1-dodecyl-2-propylpyrrole

C19H35N — CID 171571227

IUPAC1-dodecyl-2-propylpyrrole
SMILESCCCCCCCCCCCCn1cccc1CCC
InChIInChI=1S/C19H35N/c1-3-5-6-7-8-9-10-11-12-13-17-20-18-14-16-19(20)15-4-2/h14,16,18H,3-13,15,17H2,1-2H3
InChIKeyWLYZJJKIDKHADQ-UHFFFAOYSA-N
MW277.50 g/mol
LogP6.36
Rot. Bonds13

About 1-dodecyl-2-propylpyrrole

1-dodecyl-2-propylpyrrole (PubChem CID 171571227) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-dodecyl-2-propylpyrrole.

Molecular Properties

Compound Name1-dodecyl-2-propylpyrrole
PubChem CID171571227
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-dodecyl-2-propylpyrrole
SMILESCCCCCCCCCCCCn1cccc1CCC
InChIInChI=1S/C19H35N/c1-3-5-6-7-8-9-10-11-12-13-17-20-18-14-16-19(20)15-4-2/h14,16,18H,3-13,15,17H2,1-2H3
InChIKeyWLYZJJKIDKHADQ-UHFFFAOYSA-N
XLogP6.36
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2-propylpyrrole
CID 171570441
1-octyl-2-propylpyrrole
CID 171570532
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
1-dodecyl-2-propylpyrrole;trifluoromethanesulfonic acid
CID 175874765
1-dodecyl-2-ethylpyrrole;hydrochloride
CID 175874799
N-[(1-decylpyrrol-2-yl)methyl]ethanamine
CID 66402163
1-(1-hexylpyrrol-2-yl)propan-2-amine
CID 66406274
N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401799
2-methyl-N-[(1-nonylpyrrol-2-yl)methyl]propan-2-amine
CID 66401049
1-(bromomethyl)-2-hexylpyrrole
CID 175000826
(1-dodecylpyrrol-2-yl)phosphane
CID 21095442
2-methyl-1-undecylpyrrole;hydrofluoride
CID 175874866

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-propylpyrrole?
The IUPAC name of 1-dodecyl-2-propylpyrrole (CID 171571227) is 1-dodecyl-2-propylpyrrole.
What is the SMILES notation for 1-dodecyl-2-propylpyrrole?
The canonical SMILES for 1-dodecyl-2-propylpyrrole is CCCCCCCCCCCCn1cccc1CCC.
What is the InChIKey of 1-dodecyl-2-propylpyrrole?
The InChIKey is WLYZJJKIDKHADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-3-5-6-7-8-9-10-11-12-13-17-20-18-14-16-19(20)15-4-2/h14,16,18H,3-13,15,17H2,1-2H3.
What are the key properties of 1-dodecyl-2-propylpyrrole?
1-dodecyl-2-propylpyrrole has a molecular weight of 277.50 g/mol, XLogP of 6.36, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-propylpyrrole is sourced from PubChem (CID 171571227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).