N-amino-N'-phenylazocane-1-carboximidamide

C14H22N4 — CID 116513037

IUPACN-amino-N'-phenylazocane-1-carboximidamide
SMILESNN/C(=N\c1ccccc1)N1CCCCCCC1
InChIInChI=1S/C14H22N4/c15-17-14(16-13-9-5-4-6-10-13)18-11-7-2-1-3-8-12-18/h4-6,9-10H,1-3,7-8,11-12,15H2,(H,16,17)
InChIKeyIPKUHZJPSNVWAK-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.40
Rot. Bonds1

About N-amino-N'-phenylazocane-1-carboximidamide

N-amino-N'-phenylazocane-1-carboximidamide (PubChem CID 116513037) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-amino-N'-phenylazocane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-phenylazocane-1-carboximidamide
PubChem CID116513037
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-amino-N'-phenylazocane-1-carboximidamide
SMILESNN/C(=N\c1ccccc1)N1CCCCCCC1
InChIInChI=1S/C14H22N4/c15-17-14(16-13-9-5-4-6-10-13)18-11-7-2-1-3-8-12-18/h4-6,9-10H,1-3,7-8,11-12,15H2,(H,16,17)
InChIKeyIPKUHZJPSNVWAK-UHFFFAOYSA-N
XLogP2.40
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.40
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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Related Compounds

N-amino-3,5-dimethyl-N'-phenylpiperidine-1-carboximidamide
CID 116512842
N-amino-4,4-diethyl-N'-phenylpiperidine-1-carboximidamide
CID 116515163
N-amino-4-methoxy-N'-phenylpiperidine-1-carboximidamide
CID 116513179
N-amino-N'-phenyl-4-propylpiperazine-1-carboximidamide
CID 116512806
N-amino-N'-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboximidamide
CID 116513416
N'-(4-methylphenyl)-N-phenylpiperidine-1-carboximidamide
CID 138974908
N-amino-N'-phenyl-3-propoxypiperidine-1-carboximidamide
CID 116514824
N-amino-4-ethyl-3-methyl-N'-phenylpiperazine-1-carboximidamide
CID 116515177
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylpiperidine-1-carboximidamide
CID 23459662
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461
N,N'-diphenylmorpholine-4-carboximidamide;hydroiodide
CID 17383253
N-amino-2,3,4,5,6-pentafluoro-N'-phenylbenzenecarboximidamide
CID 61361144

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-phenylazocane-1-carboximidamide?
The IUPAC name of N-amino-N'-phenylazocane-1-carboximidamide (CID 116513037) is N-amino-N'-phenylazocane-1-carboximidamide.
What is the SMILES notation for N-amino-N'-phenylazocane-1-carboximidamide?
The canonical SMILES for N-amino-N'-phenylazocane-1-carboximidamide is NN/C(=N\c1ccccc1)N1CCCCCCC1.
What is the InChIKey of N-amino-N'-phenylazocane-1-carboximidamide?
The InChIKey is IPKUHZJPSNVWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c15-17-14(16-13-9-5-4-6-10-13)18-11-7-2-1-3-8-12-18/h4-6,9-10H,1-3,7-8,11-12,15H2,(H,16,17).
What are the key properties of N-amino-N'-phenylazocane-1-carboximidamide?
N-amino-N'-phenylazocane-1-carboximidamide has a molecular weight of 246.36 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-phenylazocane-1-carboximidamide is sourced from PubChem (CID 116513037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).