2-methyladamantan-2-amine

C11H19N — CID 23008682

IUPAC2-methyladamantan-2-amine
SMILESCC1(N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H19N/c1-11(12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10H,2-6,12H2,1H3
InChIKeyISCRIAGJXHTUGT-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.16
Rot. Bonds

About 2-methyladamantan-2-amine

2-methyladamantan-2-amine (PubChem CID 23008682) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyladamantan-2-amine.

Molecular Properties

Compound Name2-methyladamantan-2-amine
PubChem CID23008682
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyladamantan-2-amine
SMILESCC1(N)C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H19N/c1-11(12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10H,2-6,12H2,1H3
InChIKeyISCRIAGJXHTUGT-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyladamantan-2-amine?
The IUPAC name of 2-methyladamantan-2-amine (CID 23008682) is 2-methyladamantan-2-amine.
What is the SMILES notation for 2-methyladamantan-2-amine?
The canonical SMILES for 2-methyladamantan-2-amine is CC1(N)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-methyladamantan-2-amine?
The InChIKey is ISCRIAGJXHTUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-11(12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10H,2-6,12H2,1H3.
What are the key properties of 2-methyladamantan-2-amine?
2-methyladamantan-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyladamantan-2-amine is sourced from PubChem (CID 23008682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).