N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine

C17H28N2 — CID 134173603

IUPACN-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine
SMILESC=c1/c(=C(CC)\N=C\C)c(C)cn1C(C)(C)CCC
InChIInChI=1S/C17H28N2/c1-8-11-17(6,7)19-12-13(4)16(14(19)5)15(9-2)18-10-3/h10,12H,5,8-9,11H2,1-4,6-7H3/b16-15-,18-10+
InChIKeyZYNUOGXDXXGBJS-IADTWAPNSA-N
MW260.42 g/mol
LogP3.35
Rot. Bonds5

About N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine

N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine (PubChem CID 134173603) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine
PubChem CID134173603
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine
SMILESC=c1/c(=C(CC)\N=C\C)c(C)cn1C(C)(C)CCC
InChIInChI=1S/C17H28N2/c1-8-11-17(6,7)19-12-13(4)16(14(19)5)15(9-2)18-10-3/h10,12H,5,8-9,11H2,1-4,6-7H3/b16-15-,18-10+
InChIKeyZYNUOGXDXXGBJS-IADTWAPNSA-N
XLogP3.35
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine?
The IUPAC name of N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine (CID 134173603) is N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine.
What is the SMILES notation for N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine?
The canonical SMILES for N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine is C=c1/c(=C(CC)\N=C\C)c(C)cn1C(C)(C)CCC.
What is the InChIKey of N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine?
The InChIKey is ZYNUOGXDXXGBJS-IADTWAPNSA-N. The full InChI is InChI=1S/C17H28N2/c1-8-11-17(6,7)19-12-13(4)16(14(19)5)15(9-2)18-10-3/h10,12H,5,8-9,11H2,1-4,6-7H3/b16-15-,18-10+.
What are the key properties of N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine?
N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine has a molecular weight of 260.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[4-methyl-2-methylidene-1-(2-methylpentan-2-yl)pyrrol-3-ylidene]propyl]ethanimine is sourced from PubChem (CID 134173603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).