1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine

C18H31N — CID 82984910

IUPAC1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H31N/c1-5-8-16(9-6-2)18(19)17-12-10-15(11-13-17)14(4)7-3/h10-14,16,18H,5-9,19H2,1-4H3
InChIKeyQDRVTHVXQWUJSB-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.42
Rot. Bonds8

About 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine

1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine (PubChem CID 82984910) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine
PubChem CID82984910
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H31N/c1-5-8-16(9-6-2)18(19)17-12-10-15(11-13-17)14(4)7-3/h10-14,16,18H,5-9,19H2,1-4H3
InChIKeyQDRVTHVXQWUJSB-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-(4-butan-2-ylphenyl)-N'-methylmethanediamine
CID 116939281
1-(4-butan-2-ylphenyl)pentane-1,4-diamine
CID 116934302
2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile
CID 116946153
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
1-(4-butan-2-ylphenyl)-3-methylbutan-1-amine
CID 43097162
1-(4-butan-2-ylphenyl)pentan-3-amine
CID 112513140
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43490297
2-ethyl-1-(4-iodophenyl)butan-1-amine
CID 105013714

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine (CID 82984910) is 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1ccc(C(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine?
The InChIKey is QDRVTHVXQWUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-8-16(9-6-2)18(19)17-12-10-15(11-13-17)14(4)7-3/h10-14,16,18H,5-9,19H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine?
1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 82984910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).