N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide

C13H17Cl2N3 — CID 61361117

IUPACN-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3/c14-11-7-6-9(8-12(11)15)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyOBXRRQASLQROMS-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.54
Rot. Bonds2

About N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide

N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide (PubChem CID 61361117) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
PubChem CID61361117
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC NameN-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3/c14-11-7-6-9(8-12(11)15)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyOBXRRQASLQROMS-UHFFFAOYSA-N
XLogP3.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.54
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-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide?
The IUPAC name of N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide (CID 61361117) is N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide.
What is the SMILES notation for N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide?
The canonical SMILES for N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide is NN/C(=N\C1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide?
The InChIKey is OBXRRQASLQROMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3/c14-11-7-6-9(8-12(11)15)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18).
What are the key properties of N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide?
N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide has a molecular weight of 286.21 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide is sourced from PubChem (CID 61361117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).