N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine

C15H24N2 — CID 130554815

IUPACN'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine
SMILESCC1(C)CCC1N(CCN)Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-15(2)9-8-14(15)17(11-10-16)12-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3
InChIKeyFQSVWEZPOBWAQH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.64
Rot. Bonds5

About N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine

N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine (PubChem CID 130554815) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine
PubChem CID130554815
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine
SMILESCC1(C)CCC1N(CCN)Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-15(2)9-8-14(15)17(11-10-16)12-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3
InChIKeyFQSVWEZPOBWAQH-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine (CID 130554815) is N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine is CC1(C)CCC1N(CCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine?
The InChIKey is FQSVWEZPOBWAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2)9-8-14(15)17(11-10-16)12-13-6-4-3-5-7-13/h3-7,14H,8-12,16H2,1-2H3.
What are the key properties of N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine?
N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine is sourced from PubChem (CID 130554815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).