N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine

C9H16N2 — CID 174328684

IUPACN-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine
SMILESC/N=C/C1=C(C)N(C)CC1C
InChIInChI=1S/C9H16N2/c1-7-6-11(4)8(2)9(7)5-10-3/h5,7H,6H2,1-4H3/b10-5+
InChIKeyLBQJUHPDOZHRCT-BJMVGYQFSA-N
MW152.24 g/mol
LogP1.54
Rot. Bonds1

About N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine

N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine (PubChem CID 174328684) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine.

Molecular Properties

Compound NameN-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine
PubChem CID174328684
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine
SMILESC/N=C/C1=C(C)N(C)CC1C
InChIInChI=1S/C9H16N2/c1-7-6-11(4)8(2)9(7)5-10-3/h5,7H,6H2,1-4H3/b10-5+
InChIKeyLBQJUHPDOZHRCT-BJMVGYQFSA-N
XLogP1.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.54
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-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine?
The IUPAC name of N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine (CID 174328684) is N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine.
What is the SMILES notation for N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine?
The canonical SMILES for N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine is C/N=C/C1=C(C)N(C)CC1C.
What is the InChIKey of N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine?
The InChIKey is LBQJUHPDOZHRCT-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-6-11(4)8(2)9(7)5-10-3/h5,7H,6H2,1-4H3/b10-5+.
What are the key properties of N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine?
N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine has a molecular weight of 152.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3,5-trimethyl-2,3-dihydropyrrol-4-yl)methanimine is sourced from PubChem (CID 174328684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).