N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine

C15H24N2 — CID 166909240

IUPACN-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine
SMILESC=C/N=C1/C(=C(C)C)C(C(C)C)=CN1C(C)C
InChIInChI=1S/C15H24N2/c1-8-16-15-14(11(4)5)13(10(2)3)9-17(15)12(6)7/h8-10,12H,1H2,2-7H3/b16-15-
InChIKeyFKIWCFASBWECGT-NXVVXOECSA-N
MW232.37 g/mol
LogP4.13
Rot. Bonds3

About N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine

N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine (PubChem CID 166909240) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine.

Molecular Properties

Compound NameN-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine
PubChem CID166909240
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine
SMILESC=C/N=C1/C(=C(C)C)C(C(C)C)=CN1C(C)C
InChIInChI=1S/C15H24N2/c1-8-16-15-14(11(4)5)13(10(2)3)9-17(15)12(6)7/h8-10,12H,1H2,2-7H3/b16-15-
InChIKeyFKIWCFASBWECGT-NXVVXOECSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
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(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
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(1E)-N,N-dimethyl-1-[(5Z)-1-methyl-2-(3-methylbutyl)-5-[(Z)-pent-3-en-2-ylidene]imidazol-4-ylidene]methanamine
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N-butyl-5-methylidene-N,3-dipropylazepin-2-amine
CID 142121128
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine?
The IUPAC name of N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine (CID 166909240) is N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine.
What is the SMILES notation for N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine?
The canonical SMILES for N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine is C=C/N=C1/C(=C(C)C)C(C(C)C)=CN1C(C)C.
What is the InChIKey of N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine?
The InChIKey is FKIWCFASBWECGT-NXVVXOECSA-N. The full InChI is InChI=1S/C15H24N2/c1-8-16-15-14(11(4)5)13(10(2)3)9-17(15)12(6)7/h8-10,12H,1H2,2-7H3/b16-15-.
What are the key properties of N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine?
N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine has a molecular weight of 232.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1,4-di(propan-2-yl)-3-propan-2-ylidenepyrrol-2-imine is sourced from PubChem (CID 166909240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).