1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride

C9H17ClN2 — CID 67152122

IUPAC1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride
SMILESCl.NC1C2CC3CC1CN(C3)C2
InChIInChI=1S/C9H16N2.ClH/c10-9-7-1-6-2-8(9)5-11(3-6)4-7;/h6-9H,1-5,10H2;1H
InChIKeyQKOYKNWNJVCPFI-UHFFFAOYSA-N
MW188.70 g/mol
LogP0.71
Rot. Bonds

About 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride

1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride (PubChem CID 67152122) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride.

Molecular Properties

Compound Name1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride
PubChem CID67152122
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride
SMILESCl.NC1C2CC3CC1CN(C3)C2
InChIInChI=1S/C9H16N2.ClH/c10-9-7-1-6-2-8(9)5-11(3-6)4-7;/h6-9H,1-5,10H2;1H
InChIKeyQKOYKNWNJVCPFI-UHFFFAOYSA-N
XLogP0.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride?
The IUPAC name of 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride (CID 67152122) is 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride.
What is the SMILES notation for 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride?
The canonical SMILES for 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride is Cl.NC1C2CC3CC1CN(C3)C2.
What is the InChIKey of 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride?
The InChIKey is QKOYKNWNJVCPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c10-9-7-1-6-2-8(9)5-11(3-6)4-7;/h6-9H,1-5,10H2;1H.
What are the key properties of 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride?
1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[3.3.1.13,7]decan-4-amine;hydrochloride is sourced from PubChem (CID 67152122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).