2-(1-aminoethyl)azetidine-1-carboximidamide

C6H14N4 — CID 142657806

IUPAC2-(1-aminoethyl)azetidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC1C(C)N
InChIInChI=1S/C6H14N4/c1-4(7)5-2-3-10(5)6(8)9/h4-5H,2-3,7H2,1H3,(H3,8,9)
InChIKeySCBHTUROMLAITD-UHFFFAOYSA-N
MW142.21 g/mol
LogP-0.70
Rot. Bonds1

About 2-(1-aminoethyl)azetidine-1-carboximidamide

2-(1-aminoethyl)azetidine-1-carboximidamide (PubChem CID 142657806) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 2-(1-aminoethyl)azetidine-1-carboximidamide.

Molecular Properties

Compound Name2-(1-aminoethyl)azetidine-1-carboximidamide
PubChem CID142657806
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name2-(1-aminoethyl)azetidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC1C(C)N
InChIInChI=1S/C6H14N4/c1-4(7)5-2-3-10(5)6(8)9/h4-5H,2-3,7H2,1H3,(H3,8,9)
InChIKeySCBHTUROMLAITD-UHFFFAOYSA-N
XLogP-0.70
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
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

Guanidine, N-(1-cyclohexyl-3-azetidinyl)-N-methyl-
CID 24838554
3-(Ethylamino)azetidine-1-carboximidamide
CID 89891996
3-(Dimethylamino)-1-azetidinecarboximidamide
CID 122660817
Ethane;3-(ethylamino)azetidine-1-carboximidamide
CID 145648979

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)azetidine-1-carboximidamide?
The IUPAC name of 2-(1-aminoethyl)azetidine-1-carboximidamide (CID 142657806) is 2-(1-aminoethyl)azetidine-1-carboximidamide.
What is the SMILES notation for 2-(1-aminoethyl)azetidine-1-carboximidamide?
The canonical SMILES for 2-(1-aminoethyl)azetidine-1-carboximidamide is [H]/N=C(\N)N1CCC1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)azetidine-1-carboximidamide?
The InChIKey is SCBHTUROMLAITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4/c1-4(7)5-2-3-10(5)6(8)9/h4-5H,2-3,7H2,1H3,(H3,8,9).
What are the key properties of 2-(1-aminoethyl)azetidine-1-carboximidamide?
2-(1-aminoethyl)azetidine-1-carboximidamide has a molecular weight of 142.21 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)azetidine-1-carboximidamide is sourced from PubChem (CID 142657806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).