3,4-dimethyladamantan-1-amine

C12H21N — CID 67779932

IUPAC3,4-dimethyladamantan-1-amine
SMILESCC1C2CC3CC(N)(C2)CC1(C)C3
InChIInChI=1S/C12H21N/c1-8-10-3-9-4-11(8,2)7-12(13,5-9)6-10/h8-10H,3-7,13H2,1-2H3
InChIKeyWYZQYJDNQGOIIN-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.55
Rot. Bonds

About 3,4-dimethyladamantan-1-amine

3,4-dimethyladamantan-1-amine (PubChem CID 67779932) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3,4-dimethyladamantan-1-amine.

Molecular Properties

Compound Name3,4-dimethyladamantan-1-amine
PubChem CID67779932
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3,4-dimethyladamantan-1-amine
SMILESCC1C2CC3CC(N)(C2)CC1(C)C3
InChIInChI=1S/C12H21N/c1-8-10-3-9-4-11(8,2)7-12(13,5-9)6-10/h8-10H,3-7,13H2,1-2H3
InChIKeyWYZQYJDNQGOIIN-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyladamantan-1-amine?
The IUPAC name of 3,4-dimethyladamantan-1-amine (CID 67779932) is 3,4-dimethyladamantan-1-amine.
What is the SMILES notation for 3,4-dimethyladamantan-1-amine?
The canonical SMILES for 3,4-dimethyladamantan-1-amine is CC1C2CC3CC(N)(C2)CC1(C)C3.
What is the InChIKey of 3,4-dimethyladamantan-1-amine?
The InChIKey is WYZQYJDNQGOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8-10-3-9-4-11(8,2)7-12(13,5-9)6-10/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 3,4-dimethyladamantan-1-amine?
3,4-dimethyladamantan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyladamantan-1-amine is sourced from PubChem (CID 67779932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).