4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine

C19H33N — CID 115844097

IUPAC4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
SMILESCC(CC(N)Cc1ccc(C(C)C)cc1)CC(C)(C)C
InChIInChI=1S/C19H33N/c1-14(2)17-9-7-16(8-10-17)12-18(20)11-15(3)13-19(4,5)6/h7-10,14-15,18H,11-13,20H2,1-6H3
InChIKeyXDQWJAOALYSEJT-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.14
Rot. Bonds6

About 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine

4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine (PubChem CID 115844097) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine.

Molecular Properties

Compound Name4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
PubChem CID115844097
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
SMILESCC(CC(N)Cc1ccc(C(C)C)cc1)CC(C)(C)C
InChIInChI=1S/C19H33N/c1-14(2)17-9-7-16(8-10-17)12-18(20)11-15(3)13-19(4,5)6/h7-10,14-15,18H,11-13,20H2,1-6H3
InChIKeyXDQWJAOALYSEJT-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-4,6,6-trimethylheptan-2-amine
CID 115816480
1-(1-bromo-3,5,5-trimethylhexyl)-4-propan-2-ylbenzene
CID 63443331
1-(3-bromo-4-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
CID 115817712
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62691729
1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
CID 105055601
3,5,5-trimethyl-1-(4-propylphenyl)hexan-1-amine
CID 43138780
3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 115844296
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943
4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine
CID 63889827
1-(4-propan-2-ylphenyl)pent-4-en-2-amine
CID 116660393
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242

Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine?
The IUPAC name of 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine (CID 115844097) is 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine.
What is the SMILES notation for 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine?
The canonical SMILES for 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine is CC(CC(N)Cc1ccc(C(C)C)cc1)CC(C)(C)C.
What is the InChIKey of 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine?
The InChIKey is XDQWJAOALYSEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-14(2)17-9-7-16(8-10-17)12-18(20)11-15(3)13-19(4,5)6/h7-10,14-15,18H,11-13,20H2,1-6H3.
What are the key properties of 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine?
4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine is sourced from PubChem (CID 115844097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).