3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine

C16H27N — CID 115844296

IUPAC3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
SMILESCCC(C)(C)C(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-16(4,5)15(17)11-13-7-9-14(10-8-13)12(2)3/h7-10,12,15H,6,11,17H2,1-5H3
InChIKeyMHTHHOXOBWINTE-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.12
Rot. Bonds5

About 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine

3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine (PubChem CID 115844296) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
PubChem CID115844296
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine
SMILESCCC(C)(C)C(N)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-16(4,5)15(17)11-13-7-9-14(10-8-13)12(2)3/h7-10,12,15H,6,11,17H2,1-5H3
InChIKeyMHTHHOXOBWINTE-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-3-methyl-1-(4-propan-2-ylphenyl)butan-2-amine
CID 79197659
3,3-dimethyl-2-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 83139380
4-methyl-5-(4-propan-2-ylphenyl)pentan-2-amine
CID 64718514
4,6,6-trimethyl-1-(4-propan-2-ylphenyl)heptan-2-amine
CID 115844097
[3,3-dimethyl-1-(4-propan-2-ylphenyl)butan-2-yl]hydrazine
CID 105202909
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62691729
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine
CID 63889827
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
2-(4-propan-2-ylphenyl)butan-2-amine
CID 62800595

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine (CID 115844296) is 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine is CCC(C)(C)C(N)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
The InChIKey is MHTHHOXOBWINTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-16(4,5)15(17)11-13-7-9-14(10-8-13)12(2)3/h7-10,12,15H,6,11,17H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine?
3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-amine is sourced from PubChem (CID 115844296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).