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

C15H27NO — CID 67118793

IUPAC1-(1-adamantyl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO/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
InChIKeyJZJARNJBUWVXSF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.96
Rot. Bonds5

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

1-(1-adamantyl)-4-methoxybutan-2-amine (PubChem CID 67118793) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-4-methoxybutan-2-amine
PubChem CID67118793
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(1-adamantyl)-4-methoxybutan-2-amine
SMILESCOCCC(N)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO/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
InChIKeyJZJARNJBUWVXSF-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.96
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?
The IUPAC name of 1-(1-adamantyl)-4-methoxybutan-2-amine (CID 67118793) is 1-(1-adamantyl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(1-adamantyl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(1-adamantyl)-4-methoxybutan-2-amine is COCCC(N)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-4-methoxybutan-2-amine?
The InChIKey is JZJARNJBUWVXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/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.
What are the key properties of 1-(1-adamantyl)-4-methoxybutan-2-amine?
1-(1-adamantyl)-4-methoxybutan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.96, 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 is sourced from PubChem (CID 67118793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).