N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane

C12H26N2 — CID 161278602

IUPACN,1-di(propan-2-yl)pyrrolidin-2-imine;ethane
SMILESCC.CC(C)/N=C1\CCCN1C(C)C
InChIInChI=1S/C10H20N2.C2H6/c1-8(2)11-10-6-5-7-12(10)9(3)4;1-2/h8-9H,5-7H2,1-4H3;1-2H3/b11-10+;
InChIKeyVETSSUIIULUYKK-ASTDGNLGSA-N
MW198.35 g/mol
LogP3.32
Rot. Bonds2

About N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane

N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane (PubChem CID 161278602) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane.

Molecular Properties

Compound NameN,1-di(propan-2-yl)pyrrolidin-2-imine;ethane
PubChem CID161278602
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,1-di(propan-2-yl)pyrrolidin-2-imine;ethane
SMILESCC.CC(C)/N=C1\CCCN1C(C)C
InChIInChI=1S/C10H20N2.C2H6/c1-8(2)11-10-6-5-7-12(10)9(3)4;1-2/h8-9H,5-7H2,1-4H3;1-2H3/b11-10+;
InChIKeyVETSSUIIULUYKK-ASTDGNLGSA-N
XLogP3.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.32
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,1-di(propan-2-yl)pyrrolidin-2-imine;ethane?
The IUPAC name of N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane (CID 161278602) is N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane.
What is the SMILES notation for N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane?
The canonical SMILES for N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane is CC.CC(C)/N=C1\CCCN1C(C)C.
What is the InChIKey of N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane?
The InChIKey is VETSSUIIULUYKK-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-8(2)11-10-6-5-7-12(10)9(3)4;1-2/h8-9H,5-7H2,1-4H3;1-2H3/b11-10+;.
What are the key properties of N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane?
N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane has a molecular weight of 198.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(propan-2-yl)pyrrolidin-2-imine;ethane is sourced from PubChem (CID 161278602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).