(2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine

C10H16N2 — CID 174702286

IUPAC(2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine
SMILES[H]/N=C/c1cc(C)[nH]c1CCCC
InChIInChI=1S/C10H16N2/c1-3-4-5-10-9(7-11)6-8(2)12-10/h6-7,11-12H,3-5H2,1-2H3/b11-7+
InChIKeyBCMPMVIHRJQRJW-YRNVUSSQSA-N
MW164.25 g/mol
LogP2.66
Rot. Bonds4

About (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine

(2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine (PubChem CID 174702286) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine.

Molecular Properties

Compound Name(2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine
PubChem CID174702286
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine
SMILES[H]/N=C/c1cc(C)[nH]c1CCCC
InChIInChI=1S/C10H16N2/c1-3-4-5-10-9(7-11)6-8(2)12-10/h6-7,11-12H,3-5H2,1-2H3/b11-7+
InChIKeyBCMPMVIHRJQRJW-YRNVUSSQSA-N
XLogP2.66
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 145203726
(2-butylphenyl)methanimine
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CID 143067906
4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline
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6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one
CID 69178911
4-butyl-5-methyl-1,3-dihydroimidazol-2-one
CID 13478904
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
4-tert-butyl-2-ethyl-6-methanimidoylphenol
CID 145026368
(2-ethylphenyl)methanimine
CID 58827978
(2-ethenyl-5-methyl-4-propyl-1H-pyrrol-3-yl)methanimine
CID 166750421
4-butylsulfanyl-2-methanimidoyl-6-naphthalen-1-ylphenol
CID 144894508
5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
CID 70249249

Frequently Asked Questions

What is the IUPAC name of (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine?
The IUPAC name of (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine (CID 174702286) is (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine.
What is the SMILES notation for (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine?
The canonical SMILES for (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine is [H]/N=C/c1cc(C)[nH]c1CCCC.
What is the InChIKey of (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine?
The InChIKey is BCMPMVIHRJQRJW-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-4-5-10-9(7-11)6-8(2)12-10/h6-7,11-12H,3-5H2,1-2H3/b11-7+.
What are the key properties of (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine?
(2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine has a molecular weight of 164.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-5-methyl-1H-pyrrol-3-yl)methanimine is sourced from PubChem (CID 174702286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).