N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine

C18H27N — CID 114604146

IUPACN-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H27N/c1-2-11-19-18(12-14-9-10-14)17-8-4-7-16(13-17)15-5-3-6-15/h4,7-8,13-15,18-19H,2-3,5-6,9-12H2,1H3
InChIKeyWPBWKHHJWDODHL-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.79
Rot. Bonds7

About N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine

N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine (PubChem CID 114604146) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
PubChem CID114604146
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H27N/c1-2-11-19-18(12-14-9-10-14)17-8-4-7-16(13-17)15-5-3-6-15/h4,7-8,13-15,18-19H,2-3,5-6,9-12H2,1H3
InChIKeyWPBWKHHJWDODHL-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate
CID 79976702
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115847181
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine (CID 114604146) is N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine is CCCNC(CC1CC1)c1cccc(C2CCC2)c1.
What is the InChIKey of N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine?
The InChIKey is WPBWKHHJWDODHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-11-19-18(12-14-9-10-14)17-8-4-7-16(13-17)15-5-3-6-15/h4,7-8,13-15,18-19H,2-3,5-6,9-12H2,1H3.
What are the key properties of N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine?
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 114604146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).