adamantane-2,6-diamine

C10H18N2 — CID 54597847

IUPACadamantane-2,6-diamine
SMILESNC1C2CC3CC1CC(C2)C3N
InChIInChI=1S/C10H18N2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-10H,1-4,11-12H2
InChIKeyMYYJRMUEGNZUIN-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.71
Rot. Bonds

About adamantane-2,6-diamine

adamantane-2,6-diamine (PubChem CID 54597847) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is adamantane-2,6-diamine.

Molecular Properties

Compound Nameadamantane-2,6-diamine
PubChem CID54597847
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameadamantane-2,6-diamine
SMILESNC1C2CC3CC1CC(C2)C3N
InChIInChI=1S/C10H18N2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-10H,1-4,11-12H2
InChIKeyMYYJRMUEGNZUIN-UHFFFAOYSA-N
XLogP0.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of adamantane-2,6-diamine?
The IUPAC name of adamantane-2,6-diamine (CID 54597847) is adamantane-2,6-diamine.
What is the SMILES notation for adamantane-2,6-diamine?
The canonical SMILES for adamantane-2,6-diamine is NC1C2CC3CC1CC(C2)C3N.
What is the InChIKey of adamantane-2,6-diamine?
The InChIKey is MYYJRMUEGNZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-10H,1-4,11-12H2.
What are the key properties of adamantane-2,6-diamine?
adamantane-2,6-diamine has a molecular weight of 166.27 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-2,6-diamine is sourced from PubChem (CID 54597847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).