3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine

C19H33N — CID 102904029

IUPAC3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)CC(NCC(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C19H33N/c1-14(2)12-19(17-10-8-7-9-11-17)20-13-18(15(3)4)16(5)6/h7-11,14-16,18-20H,12-13H2,1-6H3
InChIKeyUGVZXERTRPOOHT-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.29
Rot. Bonds8

About 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine

3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine (PubChem CID 102904029) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
PubChem CID102904029
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)CC(NCC(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C19H33N/c1-14(2)12-19(17-10-8-7-9-11-17)20-13-18(15(3)4)16(5)6/h7-11,14-16,18-20H,12-13H2,1-6H3
InChIKeyUGVZXERTRPOOHT-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
1,1,1-trifluoro-3-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 103729480
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
2-[(3-methyl-1-phenylbutyl)amino]acetamide
CID 16774188
3-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 43096327
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143
3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526
3-methyl-N-[(4-methylphenyl)methyl]-1-phenylbutan-1-amine
CID 43080193
2-N-(3-methyl-2-propan-2-ylbutyl)-3-phenylbutane-1,2-diamine
CID 102912703

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine (CID 102904029) is 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine is CC(C)CC(NCC(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine?
The InChIKey is UGVZXERTRPOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-14(2)12-19(17-10-8-7-9-11-17)20-13-18(15(3)4)16(5)6/h7-11,14-16,18-20H,12-13H2,1-6H3.
What are the key properties of 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine?
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).