N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine

C17H26N2O — CID 62975535

IUPACN'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
SMILESCOc1cccc(C2CC(NCCN(C)C3CC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-19(16-6-7-16)9-8-18-15-10-14(11-15)13-4-3-5-17(12-13)20-2/h3-5,12,14-16,18H,6-11H2,1-2H3
InChIKeyOSXPVSRMRJTYCW-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.62
Rot. Bonds7

About N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine (PubChem CID 62975535) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
PubChem CID62975535
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
SMILESCOc1cccc(C2CC(NCCN(C)C3CC3)C2)c1
InChIInChI=1S/C17H26N2O/c1-19(16-6-7-16)9-8-18-15-10-14(11-15)13-4-3-5-17(12-13)20-2/h3-5,12,14-16,18H,6-11H2,1-2H3
InChIKeyOSXPVSRMRJTYCW-UHFFFAOYSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
CID 63981363
N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
CID 63314496
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
CID 43634854
3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61040203
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106169746
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106043404
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238922
N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine
CID 63278373

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine (CID 62975535) is N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine is COc1cccc(C2CC(NCCN(C)C3CC3)C2)c1.
What is the InChIKey of N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine?
The InChIKey is OSXPVSRMRJTYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(16-6-7-16)9-8-18-15-10-14(11-15)13-4-3-5-17(12-13)20-2/h3-5,12,14-16,18H,6-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62975535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).