adamantane-2,4-diamine

C10H18N2 — CID 12813520

IUPACadamantane-2,4-diamine
SMILESNC1C2CC3CC(C2)C(N)C1C3
InChIInChI=1S/C10H18N2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4,11-12H2
InChIKeyDXSZCEQFHJQDEQ-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.71
Rot. Bonds

About adamantane-2,4-diamine

adamantane-2,4-diamine (PubChem CID 12813520) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is adamantane-2,4-diamine.

Molecular Properties

Compound Nameadamantane-2,4-diamine
PubChem CID12813520
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Nameadamantane-2,4-diamine
SMILESNC1C2CC3CC(C2)C(N)C1C3
InChIInChI=1S/C10H18N2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4,11-12H2
InChIKeyDXSZCEQFHJQDEQ-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-2,4-diamine?
The IUPAC name of adamantane-2,4-diamine (CID 12813520) is adamantane-2,4-diamine.
What is the SMILES notation for adamantane-2,4-diamine?
The canonical SMILES for adamantane-2,4-diamine is NC1C2CC3CC(C2)C(N)C1C3.
What is the InChIKey of adamantane-2,4-diamine?
The InChIKey is DXSZCEQFHJQDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-10H,1-4,11-12H2.
What are the key properties of adamantane-2,4-diamine?
adamantane-2,4-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-2,4-diamine is sourced from PubChem (CID 12813520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).