N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide

C14H21N3O2 — CID 61362135

IUPACN-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
SMILESCOc1cccc(OC)c1/C(=N/C1CCCC1)NN
InChIInChI=1S/C14H21N3O2/c1-18-11-8-5-9-12(19-2)13(11)14(17-15)16-10-6-3-4-7-10/h5,8-10H,3-4,6-7,15H2,1-2H3,(H,16,17)
InChIKeyLZDICDFQIDSZII-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.86
Rot. Bonds4

About N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide

N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide (PubChem CID 61362135) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
PubChem CID61362135
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
SMILESCOc1cccc(OC)c1/C(=N/C1CCCC1)NN
InChIInChI=1S/C14H21N3O2/c1-18-11-8-5-9-12(19-2)13(11)14(17-15)16-10-6-3-4-7-10/h5,8-10H,3-4,6-7,15H2,1-2H3,(H,16,17)
InChIKeyLZDICDFQIDSZII-UHFFFAOYSA-N
XLogP1.86
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide (CID 61362135) is N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide is COc1cccc(OC)c1/C(=N/C1CCCC1)NN.
What is the InChIKey of N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide?
The InChIKey is LZDICDFQIDSZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-18-11-8-5-9-12(19-2)13(11)14(17-15)16-10-6-3-4-7-10/h5,8-10H,3-4,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide?
N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide is sourced from PubChem (CID 61362135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).