3,5-diethyladamantan-1-amine

C14H25N — CID 10013264

IUPAC3,5-diethyladamantan-1-amine
SMILESCCC12CC3CC(N)(C1)CC(CC)(C3)C2
InChIInChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3
InChIKeySUVNEFNZAWETBP-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.47
Rot. Bonds2

About 3,5-diethyladamantan-1-amine

3,5-diethyladamantan-1-amine (PubChem CID 10013264) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3,5-diethyladamantan-1-amine.

Molecular Properties

Compound Name3,5-diethyladamantan-1-amine
PubChem CID10013264
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3,5-diethyladamantan-1-amine
SMILESCCC12CC3CC(N)(C1)CC(CC)(C3)C2
InChIInChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3
InChIKeySUVNEFNZAWETBP-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyladamantan-1-amine?
The IUPAC name of 3,5-diethyladamantan-1-amine (CID 10013264) is 3,5-diethyladamantan-1-amine.
What is the SMILES notation for 3,5-diethyladamantan-1-amine?
The canonical SMILES for 3,5-diethyladamantan-1-amine is CCC12CC3CC(N)(C1)CC(CC)(C3)C2.
What is the InChIKey of 3,5-diethyladamantan-1-amine?
The InChIKey is SUVNEFNZAWETBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-12-5-11-6-13(4-2,8-12)10-14(15,7-11)9-12/h11H,3-10,15H2,1-2H3.
What are the key properties of 3,5-diethyladamantan-1-amine?
3,5-diethyladamantan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyladamantan-1-amine is sourced from PubChem (CID 10013264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).