3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide

C13H27N3 — CID 64750263

IUPAC3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)C1CCC(CC)CC1
InChIInChI=1S/C13H27N3/c1-3-11-5-7-12(8-6-11)16(4-2)10-9-13(14)15/h11-12H,3-10H2,1-2H3,(H3,14,15)
InChIKeyNOPHDSGOYFWING-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.60
Rot. Bonds6

About 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide

3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide (PubChem CID 64750263) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide
PubChem CID64750263
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CC)C1CCC(CC)CC1
InChIInChI=1S/C13H27N3/c1-3-11-5-7-12(8-6-11)16(4-2)10-9-13(14)15/h11-12H,3-10H2,1-2H3,(H3,14,15)
InChIKeyNOPHDSGOYFWING-UHFFFAOYSA-N
XLogP2.60
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide?
The IUPAC name of 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide (CID 64750263) is 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide.
What is the SMILES notation for 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide?
The canonical SMILES for 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide is [H]/N=C(\N)CCN(CC)C1CCC(CC)CC1.
What is the InChIKey of 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide?
The InChIKey is NOPHDSGOYFWING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-11-5-7-12(8-6-11)16(4-2)10-9-13(14)15/h11-12H,3-10H2,1-2H3,(H3,14,15).
What are the key properties of 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide?
3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-ethylcyclohexyl)amino]propanimidamide is sourced from PubChem (CID 64750263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).