N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine

C25H32N2 — CID 137383511

IUPACN-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine
SMILESC=C1Cc2ccc(C)cc2/C1=C/c1[nH]c(C)c(C(=C)NCCCCC)c1C
InChIInChI=1S/C25H32N2/c1-7-8-9-12-26-19(5)25-18(4)24(27-20(25)6)15-22-17(3)14-21-11-10-16(2)13-23(21)22/h10-11,13,15,26-27H,3,5,7-9,12,14H2,1-2,4,6H3/b22-15+
InChIKeyWGWDGZVGIPDXOU-PXLXIMEGSA-N
MW360.55 g/mol
LogP6.34
Rot. Bonds7

About N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine

N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine (PubChem CID 137383511) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine
PubChem CID137383511
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC NameN-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine
SMILESC=C1Cc2ccc(C)cc2/C1=C/c1[nH]c(C)c(C(=C)NCCCCC)c1C
InChIInChI=1S/C25H32N2/c1-7-8-9-12-26-19(5)25-18(4)24(27-20(25)6)15-22-17(3)14-21-11-10-16(2)13-23(21)22/h10-11,13,15,26-27H,3,5,7-9,12,14H2,1-2,4,6H3/b22-15+
InChIKeyWGWDGZVGIPDXOU-PXLXIMEGSA-N
XLogP6.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine?
The IUPAC name of N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine (CID 137383511) is N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine.
What is the SMILES notation for N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine?
The canonical SMILES for N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine is C=C1Cc2ccc(C)cc2/C1=C/c1[nH]c(C)c(C(=C)NCCCCC)c1C.
What is the InChIKey of N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine?
The InChIKey is WGWDGZVGIPDXOU-PXLXIMEGSA-N. The full InChI is InChI=1S/C25H32N2/c1-7-8-9-12-26-19(5)25-18(4)24(27-20(25)6)15-22-17(3)14-21-11-10-16(2)13-23(21)22/h10-11,13,15,26-27H,3,5,7-9,12,14H2,1-2,4,6H3/b22-15+.
What are the key properties of N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine?
N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine has a molecular weight of 360.55 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine is sourced from PubChem (CID 137383511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).