1-(1-adamantyl)propan-1-amine;hydrochloride

C13H24ClN — CID 2771130

IUPAC1-(1-adamantyl)propan-1-amine;hydrochloride
SMILESCCC(N)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H23N.ClH/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-12H,2-8,14H2,1H3;1H
InChIKeyLBHFJMATUZCGPF-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.36
Rot. Bonds2

About 1-(1-adamantyl)propan-1-amine;hydrochloride

1-(1-adamantyl)propan-1-amine;hydrochloride (PubChem CID 2771130) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 1-(1-adamantyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)propan-1-amine;hydrochloride
PubChem CID2771130
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name1-(1-adamantyl)propan-1-amine;hydrochloride
SMILESCCC(N)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H23N.ClH/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-12H,2-8,14H2,1H3;1H
InChIKeyLBHFJMATUZCGPF-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)propan-1-amine;hydrochloride?
The IUPAC name of 1-(1-adamantyl)propan-1-amine;hydrochloride (CID 2771130) is 1-(1-adamantyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)propan-1-amine;hydrochloride is CCC(N)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)propan-1-amine;hydrochloride?
The InChIKey is LBHFJMATUZCGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.ClH/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-12H,2-8,14H2,1H3;1H.
What are the key properties of 1-(1-adamantyl)propan-1-amine;hydrochloride?
1-(1-adamantyl)propan-1-amine;hydrochloride has a molecular weight of 229.79 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 2771130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).