N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide

C20H40N6 — CID 110062207

IUPACN'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
SMILESN/C(=N\CCCCCC/N=C(\N)N1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C20H40N6/c21-19(25-15-9-3-4-10-16-25)23-13-7-1-2-8-14-24-20(22)26-17-11-5-6-12-18-26/h1-18H2,(H2,21,23)(H2,22,24)
InChIKeyHHWAOWDRSLWNRO-UHFFFAOYSA-N
MW364.58 g/mol
LogP2.93
Rot. Bonds7

About N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide

N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide (PubChem CID 110062207) has the molecular formula C20H40N6 and a molecular weight of 364.58 g/mol. Its IUPAC name is N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide.

Molecular Properties

Compound NameN'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
PubChem CID110062207
Molecular FormulaC20H40N6
Molecular Weight364.58 g/mol
Exact Mass364.33
IUPAC NameN'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
SMILESN/C(=N\CCCCCC/N=C(\N)N1CCCCCC1)N1CCCCCC1
InChIInChI=1S/C20H40N6/c21-19(25-15-9-3-4-10-16-25)23-13-7-1-2-8-14-24-20(22)26-17-11-5-6-12-18-26/h1-18H2,(H2,21,23)(H2,22,24)
InChIKeyHHWAOWDRSLWNRO-UHFFFAOYSA-N
XLogP2.93
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.58
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
N'-(4-cyclopentylbutyl)piperidine-1-carboximidamide
CID 111814768
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-propylazocane-1-carboximidamide
CID 62361040
methyl 7-[[amino(piperidin-1-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040598
N'-[3-(2-hydroxyethoxy)propyl]piperidine-1-carboximidamide
CID 110018616
N'-[6-[[amino(thiomorpholin-4-yl)methylidene]amino]hexyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 110062202
N'-[4-[methyl(propan-2-yl)amino]butyl]azepane-1-carboximidamide;hydroiodide
CID 86779285
N'-(5-piperidin-1-ylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111809661
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415

Frequently Asked Questions

What is the IUPAC name of N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide?
The IUPAC name of N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide (CID 110062207) is N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide.
What is the SMILES notation for N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide?
The canonical SMILES for N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide is N/C(=N\CCCCCC/N=C(\N)N1CCCCCC1)N1CCCCCC1.
What is the InChIKey of N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide?
The InChIKey is HHWAOWDRSLWNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6/c21-19(25-15-9-3-4-10-16-25)23-13-7-1-2-8-14-24-20(22)26-17-11-5-6-12-18-26/h1-18H2,(H2,21,23)(H2,22,24).
What are the key properties of N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide?
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide has a molecular weight of 364.58 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide is sourced from PubChem (CID 110062207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).