N'-(2-adamantyl)ethane-1,2-diamine

C12H22N2 — CID 22315744

IUPACN'-(2-adamantyl)ethane-1,2-diamine
SMILESNCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2
InChIKeyLSZAYCTUPPKNOV-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.36
Rot. Bonds3

About N'-(2-adamantyl)ethane-1,2-diamine

N'-(2-adamantyl)ethane-1,2-diamine (PubChem CID 22315744) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N'-(2-adamantyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-adamantyl)ethane-1,2-diamine
PubChem CID22315744
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN'-(2-adamantyl)ethane-1,2-diamine
SMILESNCCNC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2
InChIKeyLSZAYCTUPPKNOV-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2-adamantyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-adamantyl)ethane-1,2-diamine (CID 22315744) is N'-(2-adamantyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-adamantyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-adamantyl)ethane-1,2-diamine is NCCNC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N'-(2-adamantyl)ethane-1,2-diamine?
The InChIKey is LSZAYCTUPPKNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2.
What are the key properties of N'-(2-adamantyl)ethane-1,2-diamine?
N'-(2-adamantyl)ethane-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-adamantyl)ethane-1,2-diamine is sourced from PubChem (CID 22315744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).