N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine

C20H31N — CID 114602717

IUPACN-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)C1CCCCC1
InChIInChI=1S/C20H31N/c1-2-14-21-20(17-8-4-3-5-9-17)19-13-7-12-18(15-19)16-10-6-11-16/h7,12-13,15-17,20-21H,2-6,8-11,14H2,1H3
InChIKeyXTXSEFWROWSQEZ-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.58
Rot. Bonds6

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

N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine (PubChem CID 114602717) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
PubChem CID114602717
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCNC(c1cccc(C2CCC2)c1)C1CCCCC1
InChIInChI=1S/C20H31N/c1-2-14-21-20(17-8-4-3-5-9-17)19-13-7-12-18(15-19)16-10-6-11-16/h7,12-13,15-17,20-21H,2-6,8-11,14H2,1H3
InChIKeyXTXSEFWROWSQEZ-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
N-[cyclobutyl-(3-iodophenyl)methyl]propan-1-amine
CID 105049407
N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
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CID 105176253
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
CID 114602675
N-[cyclobutyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 105049374
N-[cyclopentyl-(3-propoxyphenyl)methyl]propan-1-amine
CID 115778492
1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105053631
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
N-[cyclopentyl(naphthalen-2-yl)methyl]propan-1-amine
CID 63416906

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine?
The IUPAC name of N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine (CID 114602717) is N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine is CCCNC(c1cccc(C2CCC2)c1)C1CCCCC1.
What is the InChIKey of N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine?
The InChIKey is XTXSEFWROWSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-14-21-20(17-8-4-3-5-9-17)19-13-7-12-18(15-19)16-10-6-11-16/h7,12-13,15-17,20-21H,2-6,8-11,14H2,1H3.
What are the key properties of N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine?
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine is sourced from PubChem (CID 114602717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).