(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine

C9H18N2 — CID 155476105

IUPAC(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine
SMILESCC(C)(C)/C=N/N1CCCC1
InChIInChI=1S/C9H18N2/c1-9(2,3)8-10-11-6-4-5-7-11/h8H,4-7H2,1-3H3/b10-8+
InChIKeyLRQQJBOVRBSTBQ-CSKARUKUSA-N
MW154.26 g/mol
LogP2.11
Rot. Bonds1

About (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine

(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine (PubChem CID 155476105) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine.

Molecular Properties

Compound Name(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine
PubChem CID155476105
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine
SMILESCC(C)(C)/C=N/N1CCCC1
InChIInChI=1S/C9H18N2/c1-9(2,3)8-10-11-6-4-5-7-11/h8H,4-7H2,1-3H3/b10-8+
InChIKeyLRQQJBOVRBSTBQ-CSKARUKUSA-N
XLogP2.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-di(piperidin-1-yl)propane-1,3-diimine
CID 89456098
N'-piperidin-1-ylmethanimidamide
CID 54213064
N,N'-di(piperidin-1-yl)butane-1,4-diimine
CID 123634792
(Z)-1-(4-ethylphenyl)-N-piperidin-1-ylmethanimine
CID 45095239
2,2-dimethylpropanal;1-methylpyrrolidine
CID 142864246
(5S)-2-hydroxy-2,7-dimethyl-5-[(E)-pyrrolidin-1-yliminomethyl]octan-3-one
CID 16747921
N-tert-butyl-1-pyrrolidin-1-ylmethanimine
CID 551065
4-[(Z)-piperidin-1-yliminomethyl]benzene-1,2-diol
CID 136915095
4-(piperidin-1-yliminomethyl)benzonitrile
CID 2391650
(Z)-N-(4-prop-2-ynylpiperazin-1-yl)ethanimine
CID 90942989
2-[(E)-piperidin-1-yliminomethyl]benzoic acid
CID 24560902
1-nitrosoazepane
CID 13613

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine?
The IUPAC name of (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine (CID 155476105) is (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine.
What is the SMILES notation for (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine?
The canonical SMILES for (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine is CC(C)(C)/C=N/N1CCCC1.
What is the InChIKey of (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine?
The InChIKey is LRQQJBOVRBSTBQ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,3)8-10-11-6-4-5-7-11/h8H,4-7H2,1-3H3/b10-8+.
What are the key properties of (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine?
(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine has a molecular weight of 154.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine is sourced from PubChem (CID 155476105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).