1-adamantyl(methyl)azanide

C11H18N- — CID 58907454

IUPAC1-adamantyl(methyl)azanide
SMILESC[N-]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/q-1
InChIKeyXQSAPNUUHRHXAL-UHFFFAOYSA-N
MW164.27 g/mol
LogP2.96
Rot. Bonds1

About 1-adamantyl(methyl)azanide

1-adamantyl(methyl)azanide (PubChem CID 58907454) has the molecular formula C11H18N- and a molecular weight of 164.27 g/mol. Its IUPAC name is 1-adamantyl(methyl)azanide.

Molecular Properties

Compound Name1-adamantyl(methyl)azanide
PubChem CID58907454
Molecular FormulaC11H18N-
Molecular Weight164.27 g/mol
Exact Mass164.14
IUPAC Name1-adamantyl(methyl)azanide
SMILESC[N-]C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H18N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/q-1
InChIKeyXQSAPNUUHRHXAL-UHFFFAOYSA-N
XLogP2.96
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(methyl)azanide?
The IUPAC name of 1-adamantyl(methyl)azanide (CID 58907454) is 1-adamantyl(methyl)azanide.
What is the SMILES notation for 1-adamantyl(methyl)azanide?
The canonical SMILES for 1-adamantyl(methyl)azanide is C[N-]C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(methyl)azanide?
The InChIKey is XQSAPNUUHRHXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10H,2-7H2,1H3/q-1.
What are the key properties of 1-adamantyl(methyl)azanide?
1-adamantyl(methyl)azanide has a molecular weight of 164.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(methyl)azanide is sourced from PubChem (CID 58907454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).