N-propyladamantan-1-amine;hydrochloride

C13H24ClN — CID 19481

IUPACN-propyladamantan-1-amine;hydrochloride
SMILESCCCNC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H23N.ClH/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12,14H,2-9H2,1H3;1H
InChIKeyLXZJGHHZRICFMN-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.38
Rot. Bonds3

About N-propyladamantan-1-amine;hydrochloride

N-propyladamantan-1-amine;hydrochloride (PubChem CID 19481) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is N-propyladamantan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-propyladamantan-1-amine;hydrochloride
PubChem CID19481
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC NameN-propyladamantan-1-amine;hydrochloride
SMILESCCCNC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C13H23N.ClH/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12,14H,2-9H2,1H3;1H
InChIKeyLXZJGHHZRICFMN-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyladamantan-1-amine;hydrochloride?
The IUPAC name of N-propyladamantan-1-amine;hydrochloride (CID 19481) is N-propyladamantan-1-amine;hydrochloride.
What is the SMILES notation for N-propyladamantan-1-amine;hydrochloride?
The canonical SMILES for N-propyladamantan-1-amine;hydrochloride is CCCNC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of N-propyladamantan-1-amine;hydrochloride?
The InChIKey is LXZJGHHZRICFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.ClH/c1-2-3-14-13-7-10-4-11(8-13)6-12(5-10)9-13;/h10-12,14H,2-9H2,1H3;1H.
What are the key properties of N-propyladamantan-1-amine;hydrochloride?
N-propyladamantan-1-amine;hydrochloride has a molecular weight of 229.79 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyladamantan-1-amine;hydrochloride is sourced from PubChem (CID 19481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).