N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine

C17H25N — CID 104530348

IUPACN-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCCC1(CNC2CC(c3cccc(C)c3)C2)CC1
InChIInChI=1S/C17H25N/c1-3-17(7-8-17)12-18-16-10-15(11-16)14-6-4-5-13(2)9-14/h4-6,9,15-16,18H,3,7-8,10-12H2,1-2H3
InChIKeyRKGICYXUPOHGLO-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.02
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine

N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 104530348) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID104530348
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCCC1(CNC2CC(c3cccc(C)c3)C2)CC1
InChIInChI=1S/C17H25N/c1-3-17(7-8-17)12-18-16-10-15(11-16)14-6-4-5-13(2)9-14/h4-6,9,15-16,18H,3,7-8,10-12H2,1-2H3
InChIKeyRKGICYXUPOHGLO-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
3-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]cyclobutan-1-amine
CID 107269735
[4-[[[3-(3-methylphenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229953
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
N',N'-diethyl-N-[3-(3-methylphenyl)cyclobutyl]ethane-1,2-diamine
CID 43633398
N-(2,2-diethoxyethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 79548122
N-(furan-3-ylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104528153
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
3-(3-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895117
N-(2,3-dimethoxypropyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530609

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine (CID 104530348) is N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine is CCC1(CNC2CC(c3cccc(C)c3)C2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is RKGICYXUPOHGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-17(7-8-17)12-18-16-10-15(11-16)14-6-4-5-13(2)9-14/h4-6,9,15-16,18H,3,7-8,10-12H2,1-2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine?
N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 104530348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).