N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide

C17H27N3 — CID 63464264

IUPACN-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide
SMILESCc1cccc(CC/C(=N\C2CCCCCC2)NN)c1
InChIInChI=1S/C17H27N3/c1-14-7-6-8-15(13-14)11-12-17(20-18)19-16-9-4-2-3-5-10-16/h6-8,13,16H,2-5,9-12,18H2,1H3,(H,19,20)
InChIKeyJAJCDNYKLNVMPY-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.51
Rot. Bonds4

About N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide

N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide (PubChem CID 63464264) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide
PubChem CID63464264
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide
SMILESCc1cccc(CC/C(=N\C2CCCCCC2)NN)c1
InChIInChI=1S/C17H27N3/c1-14-7-6-8-15(13-14)11-12-17(20-18)19-16-9-4-2-3-5-10-16/h6-8,13,16H,2-5,9-12,18H2,1H3,(H,19,20)
InChIKeyJAJCDNYKLNVMPY-UHFFFAOYSA-N
XLogP3.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide?
The IUPAC name of N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide (CID 63464264) is N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide is Cc1cccc(CC/C(=N\C2CCCCCC2)NN)c1.
What is the InChIKey of N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide?
The InChIKey is JAJCDNYKLNVMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-7-6-8-15(13-14)11-12-17(20-18)19-16-9-4-2-3-5-10-16/h6-8,13,16H,2-5,9-12,18H2,1H3,(H,19,20).
What are the key properties of N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide?
N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide has a molecular weight of 273.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-3-(3-methylphenyl)propanimidamide is sourced from PubChem (CID 63464264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).