2,4-dimethyl-6-phenyl-N-propylhexan-3-amine

C17H29N — CID 79298844

IUPAC2,4-dimethyl-6-phenyl-N-propylhexan-3-amine
SMILESCCCNC(C(C)C)C(C)CCc1ccccc1
InChIInChI=1S/C17H29N/c1-5-13-18-17(14(2)3)15(4)11-12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,5,11-13H2,1-4H3
InChIKeySXXDHIUCSFBLOX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.28
Rot. Bonds8

About 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine

2,4-dimethyl-6-phenyl-N-propylhexan-3-amine (PubChem CID 79298844) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-6-phenyl-N-propylhexan-3-amine
PubChem CID79298844
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2,4-dimethyl-6-phenyl-N-propylhexan-3-amine
SMILESCCCNC(C(C)C)C(C)CCc1ccccc1
InChIInChI=1S/C17H29N/c1-5-13-18-17(14(2)3)15(4)11-12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,5,11-13H2,1-4H3
InChIKeySXXDHIUCSFBLOX-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-phenyl-N-propylhexan-2-amine
CID 61485022
3,4-dimethylhexylbenzene
CID 72602417
1-N,1-N-dimethyl-4-phenyl-2-N-propylbutane-1,2-diamine
CID 79089217
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
N-ethyl-2,4-dimethyl-1-phenylpentan-3-amine
CID 79299268
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
2-N,2-N,2-trimethyl-5-phenyl-3-N-propylpentane-2,3-diamine
CID 79054320
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
CID 114834921
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
4-ethyl-4-N,4-N-dimethyl-1-phenyl-3-N-propylhexane-3,4-diamine
CID 79059352
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine?
The IUPAC name of 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine (CID 79298844) is 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine.
What is the SMILES notation for 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine?
The canonical SMILES for 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine is CCCNC(C(C)C)C(C)CCc1ccccc1.
What is the InChIKey of 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine?
The InChIKey is SXXDHIUCSFBLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-13-18-17(14(2)3)15(4)11-12-16-9-7-6-8-10-16/h6-10,14-15,17-18H,5,11-13H2,1-4H3.
What are the key properties of 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine?
2,4-dimethyl-6-phenyl-N-propylhexan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-phenyl-N-propylhexan-3-amine is sourced from PubChem (CID 79298844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).