N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine

C15H24N2 — CID 55097698

IUPACN'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
SMILESCCN(C)CCNC1CC(c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-3-17(2)10-9-16-15-11-14(12-15)13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3
InChIKeyIQNUWKFXNAKNTC-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.47
Rot. Bonds6

About N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine

N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine (PubChem CID 55097698) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
PubChem CID55097698
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
SMILESCCN(C)CCNC1CC(c2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-3-17(2)10-9-16-15-11-14(12-15)13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3
InChIKeyIQNUWKFXNAKNTC-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
CID 63314496
N'-ethyl-N-[3-(2-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62635026
N-[3-(3-chlorophenyl)cyclobutyl]-N',N'-diethylethane-1,2-diamine
CID 43633399
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
3-[(3-phenylcyclobutyl)amino]propanenitrile
CID 43632270
5-[(3-phenylcyclobutyl)amino]pentan-1-ol
CID 107303071
N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine
CID 83116777
N-(5-methylsulfanylpentyl)-3-phenylcyclobutan-1-amine
CID 104926345
N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
CID 102676035
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
3-phenyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 115516339

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine (CID 55097698) is N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine is CCN(C)CCNC1CC(c2ccccc2)C1.
What is the InChIKey of N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine?
The InChIKey is IQNUWKFXNAKNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(2)10-9-16-15-11-14(12-15)13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3.
What are the key properties of N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine is sourced from PubChem (CID 55097698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).