5-(1-adamantyl)-3-methylpentan-1-amine

C16H29N — CID 10399188

IUPAC5-(1-adamantyl)-3-methylpentan-1-amine
SMILESCC(CCN)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29N/c1-12(3-5-17)2-4-16-9-13-6-14(10-16)8-15(7-13)11-16/h12-15H,2-11,17H2,1H3
InChIKeyAHTADPSXHDIAHK-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.97
Rot. Bonds5

About 5-(1-adamantyl)-3-methylpentan-1-amine

5-(1-adamantyl)-3-methylpentan-1-amine (PubChem CID 10399188) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 5-(1-adamantyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(1-adamantyl)-3-methylpentan-1-amine
PubChem CID10399188
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name5-(1-adamantyl)-3-methylpentan-1-amine
SMILESCC(CCN)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H29N/c1-12(3-5-17)2-4-16-9-13-6-14(10-16)8-15(7-13)11-16/h12-15H,2-11,17H2,1H3
InChIKeyAHTADPSXHDIAHK-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1-adamantyl)-3-methylpentan-1-amine?
The IUPAC name of 5-(1-adamantyl)-3-methylpentan-1-amine (CID 10399188) is 5-(1-adamantyl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(1-adamantyl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(1-adamantyl)-3-methylpentan-1-amine is CC(CCN)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-(1-adamantyl)-3-methylpentan-1-amine?
The InChIKey is AHTADPSXHDIAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(3-5-17)2-4-16-9-13-6-14(10-16)8-15(7-13)11-16/h12-15H,2-11,17H2,1H3.
What are the key properties of 5-(1-adamantyl)-3-methylpentan-1-amine?
5-(1-adamantyl)-3-methylpentan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-3-methylpentan-1-amine is sourced from PubChem (CID 10399188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).