2-(1-aminoethyl)piperidine-1-carboximidamide

C8H18N4 — CID 18663754

IUPAC2-(1-aminoethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCCC1C(C)N
InChIInChI=1S/C8H18N4/c1-6(9)7-4-2-3-5-12(7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11)
InChIKeyRPHDFDVKIIWBJS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.08
Rot. Bonds1

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

2-(1-aminoethyl)piperidine-1-carboximidamide (PubChem CID 18663754) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(1-aminoethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name2-(1-aminoethyl)piperidine-1-carboximidamide
PubChem CID18663754
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-(1-aminoethyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCCC1C(C)N
InChIInChI=1S/C8H18N4/c1-6(9)7-4-2-3-5-12(7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11)
InChIKeyRPHDFDVKIIWBJS-UHFFFAOYSA-N
XLogP0.08
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.08
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

(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
CID 129495358
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
2-(hydroxymethyl)piperidine-1-carboximidamide
CID 121201331
(2S)-2-(hydroxymethyl)piperidine-1-carboximidamide
CID 129496372
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
1-[2-(1-aminoethyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 112701185
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604
N-[(2R)-1-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569304
N-[(2R)-1-[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569307

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)piperidine-1-carboximidamide?
The IUPAC name of 2-(1-aminoethyl)piperidine-1-carboximidamide (CID 18663754) is 2-(1-aminoethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 2-(1-aminoethyl)piperidine-1-carboximidamide?
The canonical SMILES for 2-(1-aminoethyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCCC1C(C)N.
What is the InChIKey of 2-(1-aminoethyl)piperidine-1-carboximidamide?
The InChIKey is RPHDFDVKIIWBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-6(9)7-4-2-3-5-12(7)8(10)11/h6-7H,2-5,9H2,1H3,(H3,10,11).
What are the key properties of 2-(1-aminoethyl)piperidine-1-carboximidamide?
2-(1-aminoethyl)piperidine-1-carboximidamide has a molecular weight of 170.26 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 18663754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).