1-(1-adamantyl)-2-cyclobutylethanamine

C16H27N — CID 65457441

IUPAC1-(1-adamantyl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c17-15(7-11-2-1-3-11)16-8-12-4-13(9-16)6-14(5-12)10-16/h11-15H,1-10,17H2
InChIKeyLCCBTEAKOPPMOL-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.72
Rot. Bonds3

About 1-(1-adamantyl)-2-cyclobutylethanamine

1-(1-adamantyl)-2-cyclobutylethanamine (PubChem CID 65457441) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-cyclobutylethanamine
PubChem CID65457441
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(1-adamantyl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c17-15(7-11-2-1-3-11)16-8-12-4-13(9-16)6-14(5-12)10-16/h11-15H,1-10,17H2
InChIKeyLCCBTEAKOPPMOL-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-2-cyclopropylethanamine
CID 64904037
[1-(1-adamantyl)-2-cyclohexylethyl]hydrazine
CID 105214427
1-(1-adamantyl)-2-cyclobutyloxyethanamine
CID 62142148
[1-adamantyl(cyclobutyl)methyl]hydrazine
CID 105214526
1-(1-adamantyl)-2-cyclohexylsulfanylethanamine
CID 64633830
1-(1-adamantyl)-2-cyclohexyl-N-methylethanamine
CID 63416108
[1-adamantyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105214417
(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 166445853
(3-ethylcyclohexyl)-(3-methyl-1-adamantyl)methanamine
CID 104992588
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
1,2-di(cyclobutyl)ethanamine
CID 65456758
(1R)-1-(1-adamantyl)ethanamine
CID 7048786

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-cyclobutylethanamine?
The IUPAC name of 1-(1-adamantyl)-2-cyclobutylethanamine (CID 65457441) is 1-(1-adamantyl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-cyclobutylethanamine is NC(CC1CCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-2-cyclobutylethanamine?
The InChIKey is LCCBTEAKOPPMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c17-15(7-11-2-1-3-11)16-8-12-4-13(9-16)6-14(5-12)10-16/h11-15H,1-10,17H2.
What are the key properties of 1-(1-adamantyl)-2-cyclobutylethanamine?
1-(1-adamantyl)-2-cyclobutylethanamine has a molecular weight of 233.40 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-cyclobutylethanamine is sourced from PubChem (CID 65457441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).