1-(1-adamantyl)hex-5-en-2-amine

C16H27N — CID 104987696

IUPAC1-(1-adamantyl)hex-5-en-2-amine
SMILESC=CCCC(N)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-2-3-4-15(17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2,12-15H,1,3-11,17H2
InChIKeySKXGHHOYTHGQDV-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.89
Rot. Bonds5

About 1-(1-adamantyl)hex-5-en-2-amine

1-(1-adamantyl)hex-5-en-2-amine (PubChem CID 104987696) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(1-adamantyl)hex-5-en-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)hex-5-en-2-amine
PubChem CID104987696
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(1-adamantyl)hex-5-en-2-amine
SMILESC=CCCC(N)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27N/c1-2-3-4-15(17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2,12-15H,1,3-11,17H2
InChIKeySKXGHHOYTHGQDV-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)hex-5-en-2-amine?
The IUPAC name of 1-(1-adamantyl)hex-5-en-2-amine (CID 104987696) is 1-(1-adamantyl)hex-5-en-2-amine.
What is the SMILES notation for 1-(1-adamantyl)hex-5-en-2-amine?
The canonical SMILES for 1-(1-adamantyl)hex-5-en-2-amine is C=CCCC(N)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)hex-5-en-2-amine?
The InChIKey is SKXGHHOYTHGQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-3-4-15(17)11-16-8-12-5-13(9-16)7-14(6-12)10-16/h2,12-15H,1,3-11,17H2.
What are the key properties of 1-(1-adamantyl)hex-5-en-2-amine?
1-(1-adamantyl)hex-5-en-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)hex-5-en-2-amine is sourced from PubChem (CID 104987696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).