N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine

C10H20N2 — CID 58320086

IUPACN,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine
SMILESC/N=C(\N1CCCC1)C(C)(C)C
InChIInChI=1S/C10H20N2/c1-10(2,3)9(11-4)12-7-5-6-8-12/h5-8H2,1-4H3/b11-9-
InChIKeyRFZAQUMWPJUIOH-LUAWRHEFSA-N
MW168.28 g/mol
LogP2.16
Rot. Bonds

About N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine

N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine (PubChem CID 58320086) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine
PubChem CID58320086
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine
SMILESC/N=C(\N1CCCC1)C(C)(C)C
InChIInChI=1S/C10H20N2/c1-10(2,3)9(11-4)12-7-5-6-8-12/h5-8H2,1-4H3/b11-9-
InChIKeyRFZAQUMWPJUIOH-LUAWRHEFSA-N
XLogP2.16
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,2,2-trimethyl-1-morpholin-4-ylpropan-1-imine
CID 58320130
[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide
CID 90322153
N'-methylazocane-1-carboximidamide
CID 62359325
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine
CID 165163690
1,1-bis(azetidin-1-yl)-N-methylmethanimine
CID 166858642
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
2,2-dimethylpropyl N-methylpiperidine-1-carboximidate
CID 177284279
1-(azepan-1-yl)-N-methylpropan-1-imine
CID 123959692
N-methylpyrrolidine-1-carboximidoyl cyanide
CID 123728316
N'-tert-butylazocane-1-carboximidamide
CID 62361042
N-tert-butyl-2-[(N-methyl-C-piperidin-1-ylcarbonimidoyl)amino]acetamide
CID 75421284

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine?
The IUPAC name of N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine (CID 58320086) is N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine.
What is the SMILES notation for N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine?
The canonical SMILES for N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine is C/N=C(\N1CCCC1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine?
The InChIKey is RFZAQUMWPJUIOH-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2,3)9(11-4)12-7-5-6-8-12/h5-8H2,1-4H3/b11-9-.
What are the key properties of N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine?
N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine has a molecular weight of 168.28 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine is sourced from PubChem (CID 58320086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).