N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide

C16H25N3 — CID 61361536

IUPACN-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
SMILESCC(C)c1ccc(/C(=N/C2CCCCC2)NN)cc1
InChIInChI=1S/C16H25N3/c1-12(2)13-8-10-14(11-9-13)16(19-17)18-15-6-4-3-5-7-15/h8-12,15H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyMXISCWDKNNKIPM-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.35
Rot. Bonds3

About N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide

N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide (PubChem CID 61361536) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
PubChem CID61361536
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide
SMILESCC(C)c1ccc(/C(=N/C2CCCCC2)NN)cc1
InChIInChI=1S/C16H25N3/c1-12(2)13-8-10-14(11-9-13)16(19-17)18-15-6-4-3-5-7-15/h8-12,15H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyMXISCWDKNNKIPM-UHFFFAOYSA-N
XLogP3.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.35
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'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide (CID 61361536) is N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide is CC(C)c1ccc(/C(=N/C2CCCCC2)NN)cc1.
What is the InChIKey of N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide?
The InChIKey is MXISCWDKNNKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)13-8-10-14(11-9-13)16(19-17)18-15-6-4-3-5-7-15/h8-12,15H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide?
N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide has a molecular weight of 259.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-4-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 61361536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).