N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide

C12H25N3 — CID 63209126

IUPACN,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide
SMILES[H]/N=C(\N(C)CCN1CCCC1)C(C)(C)C
InChIInChI=1S/C12H25N3/c1-12(2,3)11(13)14(4)9-10-15-7-5-6-8-15/h13H,5-10H2,1-4H3/b13-11-
InChIKeyXDAVNRVPIJJDQD-QBFSEMIESA-N
MW211.35 g/mol
LogP2.04
Rot. Bonds3

About N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide

N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide (PubChem CID 63209126) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide
PubChem CID63209126
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide
SMILES[H]/N=C(\N(C)CCN1CCCC1)C(C)(C)C
InChIInChI=1S/C12H25N3/c1-12(2,3)11(13)14(4)9-10-15-7-5-6-8-15/h13H,5-10H2,1-4H3/b13-11-
InChIKeyXDAVNRVPIJJDQD-QBFSEMIESA-N
XLogP2.04
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.04
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

N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
CID 63726393
2-tert-butyl-1-methyl-1-(2-pyrrolidin-1-ylethyl)guanidine
CID 63208709
N,3,3-trimethyl-N-(2-piperidin-1-ylethyl)butanamide
CID 110753417
2-(tert-butylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 78926215
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
N,N-dimethyl-2-piperidin-1-ylethanimidamide
CID 126985949
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 55162446
1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206956
1-bromo-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 107913916
2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 63207711
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79800918

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide?
The IUPAC name of N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide (CID 63209126) is N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide.
What is the SMILES notation for N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide?
The canonical SMILES for N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide is [H]/N=C(\N(C)CCN1CCCC1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide?
The InChIKey is XDAVNRVPIJJDQD-QBFSEMIESA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2,3)11(13)14(4)9-10-15-7-5-6-8-15/h13H,5-10H2,1-4H3/b13-11-.
What are the key properties of N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide?
N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide has a molecular weight of 211.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(2-pyrrolidin-1-ylethyl)propanimidamide is sourced from PubChem (CID 63209126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).