2-butyladamantan-2-amine

C14H25N — CID 13158052

IUPAC2-butyladamantan-2-amine
SMILESCCCCC1(N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25N/c1-2-3-4-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,2-9,15H2,1H3
InChIKeyAETRMEAALJJLHQ-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.33
Rot. Bonds3

About 2-butyladamantan-2-amine

2-butyladamantan-2-amine (PubChem CID 13158052) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-butyladamantan-2-amine.

Molecular Properties

Compound Name2-butyladamantan-2-amine
PubChem CID13158052
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-butyladamantan-2-amine
SMILESCCCCC1(N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H25N/c1-2-3-4-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,2-9,15H2,1H3
InChIKeyAETRMEAALJJLHQ-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyladamantan-2-amine?
The IUPAC name of 2-butyladamantan-2-amine (CID 13158052) is 2-butyladamantan-2-amine.
What is the SMILES notation for 2-butyladamantan-2-amine?
The canonical SMILES for 2-butyladamantan-2-amine is CCCCC1(N)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-butyladamantan-2-amine?
The InChIKey is AETRMEAALJJLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-2-3-4-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,2-9,15H2,1H3.
What are the key properties of 2-butyladamantan-2-amine?
2-butyladamantan-2-amine has a molecular weight of 207.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyladamantan-2-amine is sourced from PubChem (CID 13158052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).