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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Related Compounds

N'-benzyl-N'-spiro[3.5]nonan-3-ylethane-1,2-diamine
CID 106511543
trans-(1R,2S)-2-(dibenzylamino)-1-methylcyclobutan-1-ol
CID 137450440
N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 63937836
N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine
CID 106511136
N'-benzyl-N'-(2-methylthian-3-yl)propane-1,3-diamine
CID 107364883
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
N'-benzyl-N'-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 107365088
4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
CID 130503382
N'-benzyl-N'-(3,5-dimethylcyclohexyl)propane-1,3-diamine
CID 107364845
N,N-dibenzyl-3-bromo-3-methylcyclopentan-1-amine
CID 175131150
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971

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).