3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine

C16H27N — CID 63889825

IUPAC3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27N/c1-6-10-17-15(12-16(3,4)5)14-9-7-8-13(2)11-14/h7-9,11,15,17H,6,10,12H2,1-5H3
InChIKeySEAGBVHJASPKMC-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.47
Rot. Bonds5

About 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine

3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine (PubChem CID 63889825) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
PubChem CID63889825
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H27N/c1-6-10-17-15(12-16(3,4)5)14-9-7-8-13(2)11-14/h7-9,11,15,17H,6,10,12H2,1-5H3
InChIKeySEAGBVHJASPKMC-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
CID 83161664
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
N-[1-(3-methylphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 62473096
3-(3-methylphenyl)-3-(propylamino)propanamide
CID 65235426
N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine
CID 146620917
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
1-(4-ethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43496585
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
N-[2-(2-methylbutylsulfonyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 107759698

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine (CID 63889825) is 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine is CCCNC(CC(C)(C)C)c1cccc(C)c1.
What is the InChIKey of 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine?
The InChIKey is SEAGBVHJASPKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-10-17-15(12-16(3,4)5)14-9-7-8-13(2)11-14/h7-9,11,15,17H,6,10,12H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine?
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.47, 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-(3-methylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 63889825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).