1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine

C19H31N — CID 116506114

IUPAC1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1ccc(C2CCC2)cc1
InChIInChI=1S/C19H31N/c1-5-13-20-18(14-19(2,3)4)17-11-9-16(10-12-17)15-7-6-8-15/h9-12,15,18,20H,5-8,13-14H2,1-4H3
InChIKeyCVXDNJQTMDGYTB-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.43
Rot. Bonds6

About 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine

1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 116506114) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID116506114
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1ccc(C2CCC2)cc1
InChIInChI=1S/C19H31N/c1-5-13-20-18(14-19(2,3)4)17-11-9-16(10-12-17)15-7-6-8-15/h9-12,15,18,20H,5-8,13-14H2,1-4H3
InChIKeyCVXDNJQTMDGYTB-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116506010
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
1-(4-cyclobutylphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116506013
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
N-[(4-cyclobutylphenyl)-(1H-imidazol-2-yl)methyl]propan-1-amine
CID 116506348
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(4-cyclobutylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 116506072
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene
CID 23566418
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
N-[(4-cyclobutylphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105185341

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine (CID 116506114) is 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(CC(C)(C)C)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is CVXDNJQTMDGYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-5-13-20-18(14-19(2,3)4)17-11-9-16(10-12-17)15-7-6-8-15/h9-12,15,18,20H,5-8,13-14H2,1-4H3.
What are the key properties of 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine?
1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 116506114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).