N-ethyl-2,2-dimethyladamantan-1-amine

C14H25N — CID 71453986

IUPACN-ethyl-2,2-dimethyladamantan-1-amine
SMILESCCNC12CC3CC(CC(C3)C1(C)C)C2
InChIInChI=1S/C14H25N/c1-4-15-14-8-10-5-11(9-14)7-12(6-10)13(14,2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyTXYBZYXQJDJFQC-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.20
Rot. Bonds2

About N-ethyl-2,2-dimethyladamantan-1-amine

N-ethyl-2,2-dimethyladamantan-1-amine (PubChem CID 71453986) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyladamantan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyladamantan-1-amine
PubChem CID71453986
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-ethyl-2,2-dimethyladamantan-1-amine
SMILESCCNC12CC3CC(CC(C3)C1(C)C)C2
InChIInChI=1S/C14H25N/c1-4-15-14-8-10-5-11(9-14)7-12(6-10)13(14,2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyTXYBZYXQJDJFQC-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyladamantan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyladamantan-1-amine (CID 71453986) is N-ethyl-2,2-dimethyladamantan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyladamantan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyladamantan-1-amine is CCNC12CC3CC(CC(C3)C1(C)C)C2.
What is the InChIKey of N-ethyl-2,2-dimethyladamantan-1-amine?
The InChIKey is TXYBZYXQJDJFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-15-14-8-10-5-11(9-14)7-12(6-10)13(14,2)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyladamantan-1-amine?
N-ethyl-2,2-dimethyladamantan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyladamantan-1-amine is sourced from PubChem (CID 71453986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).