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

C18H27N — CID 114604144

IUPACN-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccccc1C1CCC1
InChIInChI=1S/C18H27N/c1-2-12-19-18(13-14-10-11-14)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,14-15,18-19H,2,5-7,10-13H2,1H3
InChIKeyBSJJBTGFYXMNCP-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.79
Rot. Bonds7

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

N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine (PubChem CID 114604144) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
PubChem CID114604144
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccccc1C1CCC1
InChIInChI=1S/C18H27N/c1-2-12-19-18(13-14-10-11-14)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,14-15,18-19H,2,5-7,10-13H2,1H3
InChIKeyBSJJBTGFYXMNCP-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-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
[2-cyclobutyl-1-(2-cyclobutylphenyl)ethyl]hydrazine
CID 103170854
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986526
N-[3-bicyclo[3.1.0]hexanyl-(2-cyclobutylphenyl)methyl]propan-1-amine
CID 105052171
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
N-[(2-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191403
N-[(2-cyclobutylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114603534
1-(2-cyclobutylphenyl)-2-methoxy-N-propylpropan-1-amine
CID 114603922
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine (CID 114604144) is N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine is CCCNC(CC1CC1)c1ccccc1C1CCC1.
What is the InChIKey of N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine?
The InChIKey is BSJJBTGFYXMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-12-19-18(13-14-10-11-14)17-9-4-3-8-16(17)15-6-5-7-15/h3-4,8-9,14-15,18-19H,2,5-7,10-13H2,1H3.
What are the key properties of N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine?
N-[1-(2-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-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 114604144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).