1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine

C18H29N — CID 114602675

IUPAC1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H29N/c1-4-11-19-18(12-14(2)3)17-10-6-9-16(13-17)15-7-5-8-15/h6,9-10,13-15,18-19H,4-5,7-8,11-12H2,1-3H3
InChIKeyPRSOOMSEDPDVAP-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.04
Rot. Bonds7

About 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine

1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 114602675) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
PubChem CID114602675
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1cccc(C2CCC2)c1
InChIInChI=1S/C18H29N/c1-4-11-19-18(12-14(2)3)17-10-6-9-16(13-17)15-7-5-8-15/h6,9-10,13-15,18-19H,4-5,7-8,11-12H2,1-3H3
InChIKeyPRSOOMSEDPDVAP-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604146
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
N-[(3-cyclobutylphenyl)-cyclohexylmethyl]propan-1-amine
CID 114602717
1-(3-cyclobutylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105053631
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-2-ethoxy-N-propylbutan-1-amine
CID 114604696
methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate
CID 79976702
N-[(3-cyclobutylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 114602740
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine (CID 114602675) is 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)c1cccc(C2CCC2)c1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is PRSOOMSEDPDVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-11-19-18(12-14(2)3)17-10-6-9-16(13-17)15-7-5-8-15/h6,9-10,13-15,18-19H,4-5,7-8,11-12H2,1-3H3.
What are the key properties of 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine?
1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 114602675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).