N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine

C17H28N2 — CID 43633398

IUPACN',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C17H28N2/c1-4-19(5-2)10-9-18-17-12-16(13-17)15-8-6-7-14(3)11-15/h6-8,11,16-18H,4-5,9-10,12-13H2,1-3H3
InChIKeyJEKXSZFXDLGJIE-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.17
Rot. Bonds7

About N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine

N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine (PubChem CID 43633398) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
PubChem CID43633398
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C17H28N2/c1-4-19(5-2)10-9-18-17-12-16(13-17)15-8-6-7-14(3)11-15/h6-8,11,16-18H,4-5,9-10,12-13H2,1-3H3
InChIKeyJEKXSZFXDLGJIE-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[2-[[3-(3-methylphenyl)cyclobutyl]amino]ethyl]cyclopropanecarboxamide
CID 104526953
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006
N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530348
3-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634799
N,N,2,2-tetramethyl-N'-[3-(3-methylphenyl)cyclobutyl]propane-1,3-diamine
CID 43633047
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122
N,N-dimethyl-2-[[3-(3-methylphenyl)cyclobutyl]amino]acetamide
CID 43635313

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine (CID 43633398) is N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine is CCN(CC)CCNC1CC(c2cccc(C)c2)C1.
What is the InChIKey of N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine?
The InChIKey is JEKXSZFXDLGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(5-2)10-9-18-17-12-16(13-17)15-8-6-7-14(3)11-15/h6-8,11,16-18H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine?
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine is sourced from PubChem (CID 43633398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).