3-methyladamantan-1-amine

C11H19N — CID 3010128

IUPAC3-methyladamantan-1-amine
SMILESCC12CC3CC(C1)CC(N)(C3)C2
InChIInChI=1S/C11H19N/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3
InChIKeyMWMFMCTUGUZSJJ-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.30
Rot. Bonds

About 3-methyladamantan-1-amine

3-methyladamantan-1-amine (PubChem CID 3010128) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-methyladamantan-1-amine.

Molecular Properties

Compound Name3-methyladamantan-1-amine
PubChem CID3010128
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-methyladamantan-1-amine
SMILESCC12CC3CC(C1)CC(N)(C3)C2
InChIInChI=1S/C11H19N/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3
InChIKeyMWMFMCTUGUZSJJ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyladamantan-1-amine?
The IUPAC name of 3-methyladamantan-1-amine (CID 3010128) is 3-methyladamantan-1-amine.
What is the SMILES notation for 3-methyladamantan-1-amine?
The canonical SMILES for 3-methyladamantan-1-amine is CC12CC3CC(C1)CC(N)(C3)C2.
What is the InChIKey of 3-methyladamantan-1-amine?
The InChIKey is MWMFMCTUGUZSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7,12H2,1H3.
What are the key properties of 3-methyladamantan-1-amine?
3-methyladamantan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyladamantan-1-amine is sourced from PubChem (CID 3010128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).