N'-aminocycloheptanecarboximidamide

C8H17N3 — CID 4225506

IUPACN'-aminocycloheptanecarboximidamide
SMILESNN=C(N)C1CCCCCC1
InChIInChI=1S/C8H17N3/c9-8(11-10)7-5-3-1-2-4-6-7/h7H,1-6,10H2,(H2,9,11)
InChIKeyCRVZJNTZCHUPEB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds1

About N'-aminocycloheptanecarboximidamide

N'-aminocycloheptanecarboximidamide (PubChem CID 4225506) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N'-aminocycloheptanecarboximidamide.

Molecular Properties

Compound NameN'-aminocycloheptanecarboximidamide
PubChem CID4225506
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN'-aminocycloheptanecarboximidamide
SMILESNN=C(N)C1CCCCCC1
InChIInChI=1S/C8H17N3/c9-8(11-10)7-5-3-1-2-4-6-7/h7H,1-6,10H2,(H2,9,11)
InChIKeyCRVZJNTZCHUPEB-UHFFFAOYSA-N
XLogP1.19
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.19
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'-aminocycloheptanecarboximidamide?
The IUPAC name of N'-aminocycloheptanecarboximidamide (CID 4225506) is N'-aminocycloheptanecarboximidamide.
What is the SMILES notation for N'-aminocycloheptanecarboximidamide?
The canonical SMILES for N'-aminocycloheptanecarboximidamide is NN=C(N)C1CCCCCC1.
What is the InChIKey of N'-aminocycloheptanecarboximidamide?
The InChIKey is CRVZJNTZCHUPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c9-8(11-10)7-5-3-1-2-4-6-7/h7H,1-6,10H2,(H2,9,11).
What are the key properties of N'-aminocycloheptanecarboximidamide?
N'-aminocycloheptanecarboximidamide has a molecular weight of 155.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminocycloheptanecarboximidamide is sourced from PubChem (CID 4225506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).