3-methyl-3-(4-methylphenyl)pentan-1-amine

C13H21N — CID 126514675

IUPAC3-methyl-3-(4-methylphenyl)pentan-1-amine
SMILESCCC(C)(CCN)c1ccc(C)cc1
InChIInChI=1S/C13H21N/c1-4-13(3,9-10-14)12-7-5-11(2)6-8-12/h5-8H,4,9-10,14H2,1-3H3
InChIKeyFNHFHMNDTFANAA-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.01
Rot. Bonds4

About 3-methyl-3-(4-methylphenyl)pentan-1-amine

3-methyl-3-(4-methylphenyl)pentan-1-amine (PubChem CID 126514675) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-methyl-3-(4-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(4-methylphenyl)pentan-1-amine
PubChem CID126514675
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-methyl-3-(4-methylphenyl)pentan-1-amine
SMILESCCC(C)(CCN)c1ccc(C)cc1
InChIInChI=1S/C13H21N/c1-4-13(3,9-10-14)12-7-5-11(2)6-8-12/h5-8H,4,9-10,14H2,1-3H3
InChIKeyFNHFHMNDTFANAA-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
1-[3,4-dimethyl-4-(4-methylphenyl)hexan-3-yl]-4-methylbenzene
CID 22277896
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
1-methyl-4-[2-[4-[2-(4-methylphenyl)butan-2-yl]phenyl]propan-2-yl]benzene
CID 145063959
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
butane;methane;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;propane
CID 159232750
(2S)-2-fluoro-2-(4-methylphenyl)butan-1-amine
CID 129375642
1-(4,7-dimethyloctan-4-yl)-4-methylbenzene
CID 142145973
1-methyl-4-(5-methylnonan-5-yl)benzene;5-methylnonan-5-ol
CID 159636901
1-tert-butyl-4-methylbenzene
CID 163486601
N-(1-amino-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114152459
1-methyl-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenyl]sulfonylphenoxy]propan-2-yl]phenyl]sulfonylbenzene
CID 70799182

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-methylphenyl)pentan-1-amine?
The IUPAC name of 3-methyl-3-(4-methylphenyl)pentan-1-amine (CID 126514675) is 3-methyl-3-(4-methylphenyl)pentan-1-amine.
What is the SMILES notation for 3-methyl-3-(4-methylphenyl)pentan-1-amine?
The canonical SMILES for 3-methyl-3-(4-methylphenyl)pentan-1-amine is CCC(C)(CCN)c1ccc(C)cc1.
What is the InChIKey of 3-methyl-3-(4-methylphenyl)pentan-1-amine?
The InChIKey is FNHFHMNDTFANAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-13(3,9-10-14)12-7-5-11(2)6-8-12/h5-8H,4,9-10,14H2,1-3H3.
What are the key properties of 3-methyl-3-(4-methylphenyl)pentan-1-amine?
3-methyl-3-(4-methylphenyl)pentan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-methylphenyl)pentan-1-amine is sourced from PubChem (CID 126514675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).