1-(1-adamantyl)pentan-2-amine;hydrochloride

C15H28ClN — CID 12619351

IUPAC1-(1-adamantyl)pentan-2-amine;hydrochloride
SMILESCCCC(N)CC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H27N.ClH/c1-2-3-14(16)10-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-14H,2-10,16H2,1H3;1H
InChIKeyWBEIHIHEHNPSRG-UHFFFAOYSA-N
MW257.85 g/mol
LogP4.14
Rot. Bonds4

About 1-(1-adamantyl)pentan-2-amine;hydrochloride

1-(1-adamantyl)pentan-2-amine;hydrochloride (PubChem CID 12619351) has the molecular formula C15H28ClN and a molecular weight of 257.85 g/mol. Its IUPAC name is 1-(1-adamantyl)pentan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)pentan-2-amine;hydrochloride
PubChem CID12619351
Molecular FormulaC15H28ClN
Molecular Weight257.85 g/mol
Exact Mass257.19
IUPAC Name1-(1-adamantyl)pentan-2-amine;hydrochloride
SMILESCCCC(N)CC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H27N.ClH/c1-2-3-14(16)10-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-14H,2-10,16H2,1H3;1H
InChIKeyWBEIHIHEHNPSRG-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.85
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)pentan-2-amine;hydrochloride?
The IUPAC name of 1-(1-adamantyl)pentan-2-amine;hydrochloride (CID 12619351) is 1-(1-adamantyl)pentan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)pentan-2-amine;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)pentan-2-amine;hydrochloride is CCCC(N)CC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)pentan-2-amine;hydrochloride?
The InChIKey is WBEIHIHEHNPSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N.ClH/c1-2-3-14(16)10-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-14H,2-10,16H2,1H3;1H.
What are the key properties of 1-(1-adamantyl)pentan-2-amine;hydrochloride?
1-(1-adamantyl)pentan-2-amine;hydrochloride has a molecular weight of 257.85 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)pentan-2-amine;hydrochloride is sourced from PubChem (CID 12619351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).