1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride

C15H28ClNO — CID 67118792

IUPAC1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride
SMILESCOCCC(N)CC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H27NO.ClH/c1-17-3-2-14(16)10-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-14H,2-10,16H2,1H3;1H
InChIKeyHXLDFOAQJWNRSB-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.38
Rot. Bonds5

About 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride

1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride (PubChem CID 67118792) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride
PubChem CID67118792
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride
SMILESCOCCC(N)CC12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C15H27NO.ClH/c1-17-3-2-14(16)10-15-7-11-4-12(8-15)6-13(5-11)9-15;/h11-14H,2-10,16H2,1H3;1H
InChIKeyHXLDFOAQJWNRSB-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride (CID 67118792) is 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride is COCCC(N)CC12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride?
The InChIKey is HXLDFOAQJWNRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO.ClH/c1-17-3-2-14(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)-4-methoxybutan-2-amine;hydrochloride?
1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride has a molecular weight of 273.85 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-methoxybutan-2-amine;hydrochloride is sourced from PubChem (CID 67118792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).