2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide

C11H24N4 — CID 79313935

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)CC1CCCN1CC
InChIInChI=1S/C11H24N4/c1-4-15-7-5-6-10(15)8-14(3)9(2)11(12)13/h9-10H,4-8H2,1-3H3,(H3,12,13)
InChIKeyMHASONZSSNLIMJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.73
Rot. Bonds5

About 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide

2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide (PubChem CID 79313935) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide
PubChem CID79313935
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)CC1CCCN1CC
InChIInChI=1S/C11H24N4/c1-4-15-7-5-6-10(15)8-14(3)9(2)11(12)13/h9-10H,4-8H2,1-3H3,(H3,12,13)
InChIKeyMHASONZSSNLIMJ-UHFFFAOYSA-N
XLogP0.73
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370782
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 79310738
3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-5-methylhexan-1-ol
CID 114357457
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79312939
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106712168
1-(4-bromophenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propan-1-one
CID 79310497
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79312433
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 79314706
ethyl 2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentanoate
CID 79309508

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide (CID 79313935) is 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide is [H]/N=C(\N)C(C)N(C)CC1CCCN1CC.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide?
The InChIKey is MHASONZSSNLIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-4-15-7-5-6-10(15)8-14(3)9(2)11(12)13/h9-10H,4-8H2,1-3H3,(H3,12,13).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide?
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide has a molecular weight of 212.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanimidamide is sourced from PubChem (CID 79313935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).