N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine

C15H28N2 — CID 154091731

IUPACN,1-dibutyl-3,3,5-trimethylpyrrol-2-imine
SMILESCCCC/N=C1\N(CCCC)C(C)=CC1(C)C
InChIInChI=1S/C15H28N2/c1-6-8-10-16-14-15(4,5)12-13(3)17(14)11-9-7-2/h12H,6-11H2,1-5H3/b16-14-
InChIKeyVPNUXQVCTZYGBR-PEZBUJJGSA-N
MW236.40 g/mol
LogP4.23
Rot. Bonds6

About N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine

N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine (PubChem CID 154091731) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine.

Molecular Properties

Compound NameN,1-dibutyl-3,3,5-trimethylpyrrol-2-imine
PubChem CID154091731
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN,1-dibutyl-3,3,5-trimethylpyrrol-2-imine
SMILESCCCC/N=C1\N(CCCC)C(C)=CC1(C)C
InChIInChI=1S/C15H28N2/c1-6-8-10-16-14-15(4,5)12-13(3)17(14)11-9-7-2/h12H,6-11H2,1-5H3/b16-14-
InChIKeyVPNUXQVCTZYGBR-PEZBUJJGSA-N
XLogP4.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-2-[(1-methyl-2,3-dihydropyrrol-5-yl)methyl]-4,5-dihydroimidazole
CID 20692436
N,1,5-trimethyl-3H-pyrrol-2-imine
CID 21131855
1-[2-(1,5-Dimethyl-2,3-dihydropyrrol-1-ium-1-yl)ethyl]-1,2-dimethyl-4,5-dihydroimidazol-1-ium
CID 59960083
Ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
CID 123212275
(E)-N-[(2S)-butan-2-yl]-2-ethyl-N'-prop-1-en-2-yl-N-propylbut-2-enimidamide
CID 126516415
N-butyl-3,3,5-trimethyl-1H-pyrrol-2-imine
CID 137175445
N,1-didodecyl-3,3,5-trimethylpyrrol-2-imine
CID 154088420
5,7,7-Trimethyl-2,3-dihydropyrrolo[1,2-a]imidazole
CID 154090366
6,8,8-trimethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine
CID 154164313
N,N-diethyl-6-methyl-3,4-dihydropyridin-2-amine
CID 156227017
3-methyl-2,6-di(propan-2-yl)-4H-pyrimidine
CID 156306574
N'-but-1-en-2-yl-N-methyl-N-[(Z)-pent-3-enyl]propanimidamide
CID 166814571

Frequently Asked Questions

What is the IUPAC name of N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine?
The IUPAC name of N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine (CID 154091731) is N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine.
What is the SMILES notation for N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine?
The canonical SMILES for N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine is CCCC/N=C1\N(CCCC)C(C)=CC1(C)C.
What is the InChIKey of N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine?
The InChIKey is VPNUXQVCTZYGBR-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H28N2/c1-6-8-10-16-14-15(4,5)12-13(3)17(14)11-9-7-2/h12H,6-11H2,1-5H3/b16-14-.
What are the key properties of N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine?
N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine has a molecular weight of 236.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibutyl-3,3,5-trimethylpyrrol-2-imine is sourced from PubChem (CID 154091731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).