5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine

C17H29N — CID 83161664

IUPAC5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cccc(C)c1
InChIInChI=1S/C17H29N/c1-5-12-18-17(11-6-8-14(2)3)16-10-7-9-15(4)13-16/h7,9-10,13-14,17-18H,5-6,8,11-12H2,1-4H3
InChIKeyWHZUSPIPABKZDM-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.86
Rot. Bonds8

About 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine

5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine (PubChem CID 83161664) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
PubChem CID83161664
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1cccc(C)c1
InChIInChI=1S/C17H29N/c1-5-12-18-17(11-6-8-14(2)3)16-10-7-9-15(4)13-16/h7,9-10,13-14,17-18H,5-6,8,11-12H2,1-4H3
InChIKeyWHZUSPIPABKZDM-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
1-(3-fluoro-5-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161179
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
N-[1-(3-methylphenyl)-2-methylsulfanylethyl]propan-1-amine
CID 62693018
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
3,3-dimethyl-1-(3-methylphenyl)-N-propylbutan-1-amine
CID 63889825
1-(3,5-dimethylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63417237
N-ethyl-1-(3-methylphenyl)butan-1-amine
CID 60818713
1-[3-(3-methylphenyl)-3-(propylamino)propyl]pyrrolidine-3,4-diol
CID 106674181
5-methyl-N-propyl-1-(3,4,5-trifluorophenyl)hexan-1-amine
CID 83161134
1-(3-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79412449
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine (CID 83161664) is 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1cccc(C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine?
The InChIKey is WHZUSPIPABKZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-12-18-17(11-6-8-14(2)3)16-10-7-9-15(4)13-16/h7,9-10,13-14,17-18H,5-6,8,11-12H2,1-4H3.
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine?
5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 83161664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).