N,N-dimethyladamantan-1-amine

C12H21N — CID 19478

IUPACN,N-dimethyladamantan-1-amine
SMILESCN(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3
InChIKeyNFBYCNFAXLUGBT-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.52
Rot. Bonds1

About N,N-dimethyladamantan-1-amine

N,N-dimethyladamantan-1-amine (PubChem CID 19478) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN,N-dimethyladamantan-1-amine
PubChem CID19478
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N-dimethyladamantan-1-amine
SMILESCN(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3
InChIKeyNFBYCNFAXLUGBT-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyladamantan-1-amine?
The IUPAC name of N,N-dimethyladamantan-1-amine (CID 19478) is N,N-dimethyladamantan-1-amine.
What is the SMILES notation for N,N-dimethyladamantan-1-amine?
The canonical SMILES for N,N-dimethyladamantan-1-amine is CN(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N,N-dimethyladamantan-1-amine?
The InChIKey is NFBYCNFAXLUGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyladamantan-1-amine?
N,N-dimethyladamantan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyladamantan-1-amine is sourced from PubChem (CID 19478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).