4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine

C19H33N — CID 63889827

IUPAC4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(C(C)C)cc1)CC(C)(C)C
InChIInChI=1S/C19H33N/c1-7-12-20-18(14-19(4,5)6)13-16-8-10-17(11-9-16)15(2)3/h8-11,15,18,20H,7,12-14H2,1-6H3
InChIKeyISDPWTOYNGALSS-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.16
Rot. Bonds7

About 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine

4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine (PubChem CID 63889827) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine
PubChem CID63889827
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(C(C)C)cc1)CC(C)(C)C
InChIInChI=1S/C19H33N/c1-7-12-20-18(14-19(4,5)6)13-16-8-10-17(11-9-16)15(2)3/h8-11,15,18,20H,7,12-14H2,1-6H3
InChIKeyISDPWTOYNGALSS-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-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

4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 63526917
1-butan-2-ylsulfanyl-3-(4-propan-2-ylphenyl)-N-propylpropan-2-amine
CID 65141748
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 63412958
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
4,4-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 63890032
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
CID 115844097
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 115844296
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine (CID 63889827) is 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1ccc(C(C)C)cc1)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine?
The InChIKey is ISDPWTOYNGALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-7-12-20-18(14-19(4,5)6)13-16-8-10-17(11-9-16)15(2)3/h8-11,15,18,20H,7,12-14H2,1-6H3.
What are the key properties of 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine?
4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 63889827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).