2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide

C14H26N4 — CID 65493773

IUPAC2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(N3CCCC3)C2)CC1
InChIInChI=1S/C14H26N4/c15-13(16)9-14(4-5-14)11-17-8-3-12(10-17)18-6-1-2-7-18/h12H,1-11H2,(H3,15,16)
InChIKeyZZXIJNAETMNLHE-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide

2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 65493773) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID65493773
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(N3CCCC3)C2)CC1
InChIInChI=1S/C14H26N4/c15-13(16)9-14(4-5-14)11-17-8-3-12(10-17)18-6-1-2-7-18/h12H,1-11H2,(H3,15,16)
InChIKeyZZXIJNAETMNLHE-UHFFFAOYSA-N
XLogP1.26
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.26
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-[(4-cyclopropylpiperazin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65492522
N'-hydroxy-2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 77071619
2-[1-[(4-hydroxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65494369
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 102958559
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
2-[1-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanethioamide
CID 65498306
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 65212460
2-[1-[(4-propylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65492946
2-[1-[(4,4-dimethylazepan-1-yl)methyl]cyclopropyl]ethanimidamide
CID 65492133
1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 63723420
2-[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]ethanimidamide
CID 65494395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 65493773) is 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCC(N3CCCC3)C2)CC1.
What is the InChIKey of 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is ZZXIJNAETMNLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c15-13(16)9-14(4-5-14)11-17-8-3-12(10-17)18-6-1-2-7-18/h12H,1-11H2,(H3,15,16).
What are the key properties of 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide?
2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 250.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).