N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride

C9H17Cl2IN2 — CID 87743947

IUPACN-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride
SMILESCl.Cl.INC12CC3CC(CC(C3)N1)C2
InChIInChI=1S/C9H15IN2.2ClH/c10-12-9-4-6-1-7(5-9)3-8(2-6)11-9;;/h6-8,11-12H,1-5H2;2*1H
InChIKeyVCWJHNOUDRYNSW-UHFFFAOYSA-N
MW351.06 g/mol
LogP2.65
Rot. Bonds1

About N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride

N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride (PubChem CID 87743947) has the molecular formula C9H17Cl2IN2 and a molecular weight of 351.06 g/mol. Its IUPAC name is N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride
PubChem CID87743947
Molecular FormulaC9H17Cl2IN2
Molecular Weight351.06 g/mol
Exact Mass349.98
IUPAC NameN-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride
SMILESCl.Cl.INC12CC3CC(CC(C3)N1)C2
InChIInChI=1S/C9H15IN2.2ClH/c10-12-9-4-6-1-7(5-9)3-8(2-6)11-9;;/h6-8,11-12H,1-5H2;2*1H
InChIKeyVCWJHNOUDRYNSW-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-nitroso-2-azatricyclo[3.3.1.13,7]decane
CID 118643342
2-(6-amino-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxyisoindol-2-yl)-N-(2-azatricyclo[3.3.1.13,7]decan-1-yl)acetamide
CID 59053917
Adamantylsilicone
CID 18798576
tricyclo[3.3.1.03,7]nonane-3,7-diamine
CID 10855666
2-(1-adamantyl)-1,1-dimethylhydrazine;hydrochloride
CID 70525718
adamantane;1-methyladamantane
CID 53425859
(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol
CID 175729322
N-dimethylsilyladamantan-1-amine
CID 151865099
(7S)-N-iodo-1-methyladamantan-2-amine
CID 154931045
N-methyladamantan-1-amine
CID 19476
1-adamantyl(methanidyl)azanium
CID 58907453
N,N-dideuterioadamantan-1-amine
CID 102600925

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride?
The IUPAC name of N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride (CID 87743947) is N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride.
What is the SMILES notation for N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride?
The canonical SMILES for N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride is Cl.Cl.INC12CC3CC(CC(C3)N1)C2.
What is the InChIKey of N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride?
The InChIKey is VCWJHNOUDRYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN2.2ClH/c10-12-9-4-6-1-7(5-9)3-8(2-6)11-9;;/h6-8,11-12H,1-5H2;2*1H.
What are the key properties of N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride?
N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride has a molecular weight of 351.06 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-azatricyclo[3.3.1.13,7]decan-1-amine;dihydrochloride is sourced from PubChem (CID 87743947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).