N-ethyl-1-propan-2-ylpyrrolidin-2-imine

C9H18N2 — CID 138727667

IUPACN-ethyl-1-propan-2-ylpyrrolidin-2-imine
SMILESCC/N=C1\CCCN1C(C)C
InChIInChI=1S/C9H18N2/c1-4-10-9-6-5-7-11(9)8(2)3/h8H,4-7H2,1-3H3/b10-9+
InChIKeyXHGQHOXEQHTOQV-MDZDMXLPSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds2

About N-ethyl-1-propan-2-ylpyrrolidin-2-imine

N-ethyl-1-propan-2-ylpyrrolidin-2-imine (PubChem CID 138727667) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethyl-1-propan-2-ylpyrrolidin-2-imine.

Molecular Properties

Compound NameN-ethyl-1-propan-2-ylpyrrolidin-2-imine
PubChem CID138727667
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethyl-1-propan-2-ylpyrrolidin-2-imine
SMILESCC/N=C1\CCCN1C(C)C
InChIInChI=1S/C9H18N2/c1-4-10-9-6-5-7-11(9)8(2)3/h8H,4-7H2,1-3H3/b10-9+
InChIKeyXHGQHOXEQHTOQV-MDZDMXLPSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methanamine, N-(1-methyl-2-pyrrolidinylidene)-
CID 574377
3,4,5,7,8,9-hexahydro-2H-pyrrolo[1,2-a][1,3]diazepine
CID 20488750
5-(Pyrrolidin-1-yl)-3,4-dihydro-2H-pyrrole
CID 330201
N-ethyl-1-methylpyrrolidin-2-imine
CID 12896054
(1-Methylpyrrolidin-2-ylidene)cyanamide
CID 379672
1-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidin-1-ium
CID 15935236
6-Methyl-2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 66808125
N-tert-butyl-1-pyrrolidin-1-ylethanimine
CID 334767
1-Butyl-2-ethyl-4,5-dihydroimidazole
CID 86103198
N-cyclopropyl-1-methylpyrrolidin-2-imine
CID 90654276
N,N-dibutyl-3,4-dihydro-2H-pyrrol-5-amine
CID 11367600
N,N-diethyl-N'-methylbutanimidamide
CID 13042448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-ylpyrrolidin-2-imine?
The IUPAC name of N-ethyl-1-propan-2-ylpyrrolidin-2-imine (CID 138727667) is N-ethyl-1-propan-2-ylpyrrolidin-2-imine.
What is the SMILES notation for N-ethyl-1-propan-2-ylpyrrolidin-2-imine?
The canonical SMILES for N-ethyl-1-propan-2-ylpyrrolidin-2-imine is CC/N=C1\CCCN1C(C)C.
What is the InChIKey of N-ethyl-1-propan-2-ylpyrrolidin-2-imine?
The InChIKey is XHGQHOXEQHTOQV-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-10-9-6-5-7-11(9)8(2)3/h8H,4-7H2,1-3H3/b10-9+.
What are the key properties of N-ethyl-1-propan-2-ylpyrrolidin-2-imine?
N-ethyl-1-propan-2-ylpyrrolidin-2-imine has a molecular weight of 154.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-ylpyrrolidin-2-imine is sourced from PubChem (CID 138727667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).