N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine

C15H28N2 — CID 69239125

IUPACN'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H28N2/c1-16-4-5-17-3-2-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14,16-17H,2-11H2,1H3
InChIKeyDUHYWJSTZAOCPG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.40
Rot. Bonds6

About N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine

N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 69239125) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine
PubChem CID69239125
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine
SMILESCNCCNCCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H28N2/c1-16-4-5-17-3-2-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14,16-17H,2-11H2,1H3
InChIKeyDUHYWJSTZAOCPG-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine (CID 69239125) is N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine is CNCCNCCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is DUHYWJSTZAOCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-16-4-5-17-3-2-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14,16-17H,2-11H2,1H3.
What are the key properties of N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine?
N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 69239125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).