N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine

C13H28N2 — CID 155421326

IUPACN'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CC(C(C)(C)C)C1
InChIInChI=1S/C13H28N2/c1-13(2,3)11-9-12(10-11)15(6)8-7-14(4)5/h11-12H,7-10H2,1-6H3
InChIKeyZJQGMXVAHGICIS-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.30
Rot. Bonds4

About N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 155421326) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID155421326
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1CC(C(C)(C)C)C1
InChIInChI=1S/C13H28N2/c1-13(2,3)11-9-12(10-11)15(6)8-7-14(4)5/h11-12H,7-10H2,1-6H3
InChIKeyZJQGMXVAHGICIS-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine (CID 155421326) is N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1CC(C(C)(C)C)C1.
What is the InChIKey of N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is ZJQGMXVAHGICIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-13(2,3)11-9-12(10-11)15(6)8-7-14(4)5/h11-12H,7-10H2,1-6H3.
What are the key properties of N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butylcyclobutyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 155421326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).