5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide

C13H28N4 — CID 55004270

IUPAC5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(C)C1CCN(CC)CC1
InChIInChI=1S/C13H28N4/c1-3-17-10-7-12(8-11-17)16(2)9-5-4-6-13(14)15/h12H,3-11H2,1-2H3,(H3,14,15)
InChIKeyDVZOQNQIZWRSMR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.51
Rot. Bonds7

About 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide

5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide (PubChem CID 55004270) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide
PubChem CID55004270
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide
SMILES[H]/N=C(\N)CCCCN(C)C1CCN(CC)CC1
InChIInChI=1S/C13H28N4/c1-3-17-10-7-12(8-11-17)16(2)9-5-4-6-13(14)15/h12H,3-11H2,1-2H3,(H3,14,15)
InChIKeyDVZOQNQIZWRSMR-UHFFFAOYSA-N
XLogP1.51
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-[(1-ethylpiperidin-4-yl)-methylamino]pentanethioamide
CID 55004464
3-[(4-ethylcyclohexyl)-methylamino]propanimidamide
CID 61448961
6-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710834
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
CID 55072081
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
4-[methyl(pentyl)amino]butanimidamide
CID 43294979
1-amino-2-[2-[(1-ethylpiperidin-4-yl)-methylamino]ethyl]cyclopentane-1-carboxamide
CID 79565781
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
CID 114483486
4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanimidamide
CID 112625824

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide?
The IUPAC name of 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide (CID 55004270) is 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide.
What is the SMILES notation for 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide?
The canonical SMILES for 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide is [H]/N=C(\N)CCCCN(C)C1CCN(CC)CC1.
What is the InChIKey of 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide?
The InChIKey is DVZOQNQIZWRSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-3-17-10-7-12(8-11-17)16(2)9-5-4-6-13(14)15/h12H,3-11H2,1-2H3,(H3,14,15).
What are the key properties of 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide?
5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide has a molecular weight of 240.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-4-yl)-methylamino]pentanimidamide is sourced from PubChem (CID 55004270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).