N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine

C9H16N2 — CID 123666031

IUPACN-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine
SMILESCC(C)=NC1=CN(C)CC1C
InChIInChI=1S/C9H16N2/c1-7(2)10-9-6-11(4)5-8(9)3/h6,8H,5H2,1-4H3
InChIKeySZDSODGHDKVZDQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds1

About N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine

N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine (PubChem CID 123666031) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine
PubChem CID123666031
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine
SMILESCC(C)=NC1=CN(C)CC1C
InChIInChI=1S/C9H16N2/c1-7(2)10-9-6-11(4)5-8(9)3/h6,8H,5H2,1-4H3
InChIKeySZDSODGHDKVZDQ-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methyliminopropyl)but-1-en-2-amine
CID 123450015
methyl-methylidene-[(Z)-2-methyl-4-(propan-2-ylideneamino)but-3-enyl]azanium
CID 132150826
3-ethenyl-1-methyl-5-propan-2-yl-2H-pyrazine
CID 135224630
N,3-dimethyl-N-(2-methyliminopropyl)but-1-en-2-amine
CID 156039112
1-Methyl-2-propan-2-ylpyrazine
CID 156330905
N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]propan-2-imine
CID 167248501
(Z)-N,N-dimethyl-2-(3-methylbutan-2-ylideneamino)but-1-en-1-amine
CID 167287449

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine?
The IUPAC name of N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine (CID 123666031) is N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine.
What is the SMILES notation for N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine?
The canonical SMILES for N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine is CC(C)=NC1=CN(C)CC1C.
What is the InChIKey of N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine?
The InChIKey is SZDSODGHDKVZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)10-9-6-11(4)5-8(9)3/h6,8H,5H2,1-4H3.
What are the key properties of N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine?
N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine has a molecular weight of 152.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,3-dihydropyrrol-4-yl)propan-2-imine is sourced from PubChem (CID 123666031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).