N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide

C10H21N3 — CID 127002470

IUPACN'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide
SMILESC/C(N)=N\C(C)(C)CN1CCCC1
InChIInChI=1S/C10H21N3/c1-9(11)12-10(2,3)8-13-6-4-5-7-13/h4-8H2,1-3H3,(H2,11,12)
InChIKeyNOKJSIFHLHTZCF-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.24
Rot. Bonds3

About N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide

N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide (PubChem CID 127002470) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide
PubChem CID127002470
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide
SMILESC/C(N)=N\C(C)(C)CN1CCCC1
InChIInChI=1S/C10H21N3/c1-9(11)12-10(2,3)8-13-6-4-5-7-13/h4-8H2,1-3H3,(H2,11,12)
InChIKeyNOKJSIFHLHTZCF-UHFFFAOYSA-N
XLogP1.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(2,2-dimethylpropyl)azocane
CID 131007399
4-(azepan-1-yl)-3,3-dimethylbutan-2-one
CID 59854594
N'-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide
CID 122095587
2-(cyclopropylamino)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64795608
2-methyl-2-(piperidin-1-ylmethyl)butanamide
CID 67635187
1-(2,2-dimethylpropyl)piperidine;ethane
CID 162156975
3-(azepan-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64796730
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
2-tert-butyl-1-methyl-1-(2-pyrrolidin-1-ylethyl)guanidine
CID 63208709
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
2-fluoro-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 84654963
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677

Frequently Asked Questions

What is the IUPAC name of N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide?
The IUPAC name of N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide (CID 127002470) is N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide.
What is the SMILES notation for N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide?
The canonical SMILES for N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide is C/C(N)=N\C(C)(C)CN1CCCC1.
What is the InChIKey of N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide?
The InChIKey is NOKJSIFHLHTZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-9(11)12-10(2,3)8-13-6-4-5-7-13/h4-8H2,1-3H3,(H2,11,12).
What are the key properties of N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide?
N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)ethanimidamide is sourced from PubChem (CID 127002470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).