N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine

C18H34N2 — CID 107445843

IUPACN'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine
SMILESCC12CC3CC(C)(C1)CC(NCCNC(C)(C)C)(C3)C2
InChIInChI=1S/C18H34N2/c1-15(2,3)19-6-7-20-18-10-14-8-16(4,12-18)11-17(5,9-14)13-18/h14,19-20H,6-13H2,1-5H3
InChIKeyPZOKCYYWWWTAAC-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.71
Rot. Bonds4

About N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine

N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine (PubChem CID 107445843) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine
PubChem CID107445843
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine
SMILESCC12CC3CC(C)(C1)CC(NCCNC(C)(C)C)(C3)C2
InChIInChI=1S/C18H34N2/c1-15(2,3)19-6-7-20-18-10-14-8-16(4,12-18)11-17(5,9-14)13-18/h14,19-20H,6-13H2,1-5H3
InChIKeyPZOKCYYWWWTAAC-UHFFFAOYSA-N
XLogP3.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine (CID 107445843) is N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine is CC12CC3CC(C)(C1)CC(NCCNC(C)(C)C)(C3)C2.
What is the InChIKey of N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine?
The InChIKey is PZOKCYYWWWTAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-15(2,3)19-6-7-20-18-10-14-8-16(4,12-18)11-17(5,9-14)13-18/h14,19-20H,6-13H2,1-5H3.
What are the key properties of N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine?
N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine has a molecular weight of 278.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3,5-dimethyl-1-adamantyl)ethane-1,2-diamine is sourced from PubChem (CID 107445843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).