N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine

C16H23N — CID 43635502

IUPACN-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NC(C)C3CC3)C2)c1
InChIInChI=1S/C16H23N/c1-11-4-3-5-14(8-11)15-9-16(10-15)17-12(2)13-6-7-13/h3-5,8,12-13,15-17H,6-7,9-10H2,1-2H3
InChIKeyBRILSEBZJOBLCW-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.63
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine

N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine (PubChem CID 43635502) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
PubChem CID43635502
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
SMILESCc1cccc(C2CC(NC(C)C3CC3)C2)c1
InChIInChI=1S/C16H23N/c1-11-4-3-5-14(8-11)15-9-16(10-15)17-12(2)13-6-7-13/h3-5,8,12-13,15-17H,6-7,9-10H2,1-2H3
InChIKeyBRILSEBZJOBLCW-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
N-(1-cyclopropylethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635495
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
CID 104530209
3-(3-methylphenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723071
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 104530246
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine (CID 43635502) is N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine is Cc1cccc(C2CC(NC(C)C3CC3)C2)c1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
The InChIKey is BRILSEBZJOBLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-11-4-3-5-14(8-11)15-9-16(10-15)17-12(2)13-6-7-13/h3-5,8,12-13,15-17H,6-7,9-10H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine?
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 43635502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).