N-amino-N'-cyclohexyladamantane-2-carboximidamide

C17H29N3 — CID 81098708

IUPACN-amino-N'-cyclohexyladamantane-2-carboximidamide
SMILESNN/C(=N\C1CCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29N3/c18-20-17(19-15-4-2-1-3-5-15)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10,18H2,(H,19,20)
InChIKeyXHZBDYRRXIXXQY-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.25
Rot. Bonds2

About N-amino-N'-cyclohexyladamantane-2-carboximidamide

N-amino-N'-cyclohexyladamantane-2-carboximidamide (PubChem CID 81098708) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-amino-N'-cyclohexyladamantane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyladamantane-2-carboximidamide
PubChem CID81098708
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-amino-N'-cyclohexyladamantane-2-carboximidamide
SMILESNN/C(=N\C1CCCCC1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H29N3/c18-20-17(19-15-4-2-1-3-5-15)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10,18H2,(H,19,20)
InChIKeyXHZBDYRRXIXXQY-UHFFFAOYSA-N
XLogP3.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.25
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-N'-cyclopentyltricyclo[3.2.1.02,4]octane-3-carboximidamide
CID 114097163
N-amino-N'-cycloheptylcycloheptanecarboximidamide
CID 55194306
N-amino-N'-cyclopropylcyclopentanecarboximidamide
CID 61362316
N-amino-N'-cycloheptyloxane-3-carboximidamide
CID 63015816
N-amino-N'-cyclohexyloxolane-2-carboximidamide
CID 61363503
1-(1-adamantyl)-3-amino-2-cyclohexylguanidine
CID 104882941
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
CID 63462480
1-amino-3-cyclobutyl-2-cyclohexylguanidine
CID 104882648
2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
CID 68500912

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyladamantane-2-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyladamantane-2-carboximidamide (CID 81098708) is N-amino-N'-cyclohexyladamantane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyladamantane-2-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyladamantane-2-carboximidamide is NN/C(=N\C1CCCCC1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-amino-N'-cyclohexyladamantane-2-carboximidamide?
The InChIKey is XHZBDYRRXIXXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c18-20-17(19-15-4-2-1-3-5-15)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,1-10,18H2,(H,19,20).
What are the key properties of N-amino-N'-cyclohexyladamantane-2-carboximidamide?
N-amino-N'-cyclohexyladamantane-2-carboximidamide has a molecular weight of 275.44 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyladamantane-2-carboximidamide is sourced from PubChem (CID 81098708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).