N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine

C18H27NO — CID 114603372

IUPACN-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)C1CCOC1
InChIInChI=1S/C18H27NO/c1-2-10-19-18(17-9-11-20-13-17)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12,14,17-19H,2-3,5-6,9-11,13H2,1H3
InChIKeyWYMZTHYSKDJUJJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.03
Rot. Bonds6

About N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine

N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine (PubChem CID 114603372) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
PubChem CID114603372
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)C1CCOC1
InChIInChI=1S/C18H27NO/c1-2-10-19-18(17-9-11-20-13-17)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12,14,17-19H,2-3,5-6,9-11,13H2,1H3
InChIKeyWYMZTHYSKDJUJJ-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
CID 63565500
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
N-[[3-(difluoromethoxy)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 107139119
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489
N-[naphthalen-2-yl(oxan-3-yl)methyl]propan-1-amine
CID 65332373
N-[(3-fluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563793
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
5-[oxolan-3-yl(propylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61276462
1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105053631
N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65330638

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine (CID 114603372) is N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine is CCCNC(c1cccc(C2CCC2)c1)C1CCOC1.
What is the InChIKey of N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine?
The InChIKey is WYMZTHYSKDJUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-10-19-18(17-9-11-20-13-17)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12,14,17-19H,2-3,5-6,9-11,13H2,1H3.
What are the key properties of N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine?
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114603372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).