N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide

C17H30N2 — CID 123593310

IUPACN'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide
SMILESCCCC/C(N)=N\C(CC)C1C=CC(C2CC2)CC1
InChIInChI=1S/C17H30N2/c1-3-5-6-17(18)19-16(4-2)15-11-9-14(10-12-15)13-7-8-13/h9,11,13-16H,3-8,10,12H2,1-2H3,(H2,18,19)
InChIKeyJJQJGQRPJQOZGU-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.30
Rot. Bonds7

About N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide

N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide (PubChem CID 123593310) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide.

Molecular Properties

Compound NameN'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide
PubChem CID123593310
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide
SMILESCCCC/C(N)=N\C(CC)C1C=CC(C2CC2)CC1
InChIInChI=1S/C17H30N2/c1-3-5-6-17(18)19-16(4-2)15-11-9-14(10-12-15)13-7-8-13/h9,11,13-16H,3-8,10,12H2,1-2H3,(H2,18,19)
InChIKeyJJQJGQRPJQOZGU-UHFFFAOYSA-N
XLogP4.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide?
The IUPAC name of N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide (CID 123593310) is N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide.
What is the SMILES notation for N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide?
The canonical SMILES for N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide is CCCC/C(N)=N\C(CC)C1C=CC(C2CC2)CC1.
What is the InChIKey of N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide?
The InChIKey is JJQJGQRPJQOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-5-6-17(18)19-16(4-2)15-11-9-14(10-12-15)13-7-8-13/h9,11,13-16H,3-8,10,12H2,1-2H3,(H2,18,19).
What are the key properties of N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide?
N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide has a molecular weight of 262.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-cyclopropylcyclohex-2-en-1-yl)propyl]pentanimidamide is sourced from PubChem (CID 123593310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).