1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole

C19H35N — CID 123587860

IUPAC1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole
SMILESC=C1C=C(CCCC(C)C)N(CCCCCC(C)C)C1
InChIInChI=1S/C19H35N/c1-16(2)10-7-6-8-13-20-15-18(5)14-19(20)12-9-11-17(3)4/h14,16-17H,5-13,15H2,1-4H3
InChIKeyYIBDAHPFUORMTL-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.78
Rot. Bonds10

About 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole

1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole (PubChem CID 123587860) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole.

Molecular Properties

Compound Name1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole
PubChem CID123587860
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole
SMILESC=C1C=C(CCCC(C)C)N(CCCCCC(C)C)C1
InChIInChI=1S/C19H35N/c1-16(2)10-7-6-8-13-20-15-18(5)14-19(20)12-9-11-17(3)4/h14,16-17H,5-13,15H2,1-4H3
InChIKeyYIBDAHPFUORMTL-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
CID 135295121
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
(3E)-N-ethynyl-N-[[(3S)-5-fluoro-3-methylcyclohexen-1-yl]methyl]-4-methylhexa-1,3-dien-2-amine
CID 170020840
1-[(3R)-3-methyl-6-propan-2-ylidenecyclohexen-1-yl]pyrrolidine
CID 134892248
3-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)propyl-triethylazanium
CID 18341880
N-butyl-N-[2-[4,5-di(pentan-3-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295272
N-butyl-N-[2-[4,5-di(propan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295279
N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 23295287
2-[4,5-di(pentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 53694581
N-butyl-N-[2-[2,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
CID 54275402

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole?
The IUPAC name of 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole (CID 123587860) is 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole.
What is the SMILES notation for 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole?
The canonical SMILES for 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole is C=C1C=C(CCCC(C)C)N(CCCCCC(C)C)C1.
What is the InChIKey of 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole?
The InChIKey is YIBDAHPFUORMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-16(2)10-7-6-8-13-20-15-18(5)14-19(20)12-9-11-17(3)4/h14,16-17H,5-13,15H2,1-4H3.
What are the key properties of 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole?
1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole has a molecular weight of 277.50 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptyl)-3-methylidene-5-(4-methylpentyl)-2H-pyrrole is sourced from PubChem (CID 123587860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).