4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane

C19H34N2O — CID 177354297

IUPAC4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane
SMILESCC(C)CC(CCN)c1ccc(C(=O)N(C)C)cc1.CCC
InChIInChI=1S/C16H26N2O.C3H8/c1-12(2)11-15(9-10-17)13-5-7-14(8-6-13)16(19)18(3)4;1-3-2/h5-8,12,15H,9-11,17H2,1-4H3;3H2,1-2H3
InChIKeyKPWKHUWUYDAUFL-UHFFFAOYSA-N
MW306.49 g/mol
LogP4.28
Rot. Bonds6

About 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane

4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane (PubChem CID 177354297) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane.

Molecular Properties

Compound Name4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane
PubChem CID177354297
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane
SMILESCC(C)CC(CCN)c1ccc(C(=O)N(C)C)cc1.CCC
InChIInChI=1S/C16H26N2O.C3H8/c1-12(2)11-15(9-10-17)13-5-7-14(8-6-13)16(19)18(3)4;1-3-2/h5-8,12,15H,9-11,17H2,1-4H3;3H2,1-2H3
InChIKeyKPWKHUWUYDAUFL-UHFFFAOYSA-N
XLogP4.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
CID 66820082
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
N-(4-aminobutan-2-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107727840
4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzamide
CID 134395435
N,N-dimethyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43681981
4-[[4-(dimethylcarbamoyl)phenyl]-methoxymethyl]-N,N-dimethylbenzamide
CID 59165706
2-[4-(dimethylcarbamoyl)phenyl]propyl 4-propan-2-ylbenzoate
CID 155243194
4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 43571598
3-amino-N,N-dimethyl-4-(4-methylpentan-2-yloxy)benzamide
CID 82993187
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711
3-[(4-amino-2-methylbutanoyl)amino]-N,N,4-trimethylbenzamide
CID 80543366
4-[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-(cyanomethyl)amino]-2,2,2-trifluoroethyl]-N,N-dimethylbenzamide
CID 87345703

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane?
The IUPAC name of 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane (CID 177354297) is 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane.
What is the SMILES notation for 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane?
The canonical SMILES for 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane is CC(C)CC(CCN)c1ccc(C(=O)N(C)C)cc1.CCC.
What is the InChIKey of 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane?
The InChIKey is KPWKHUWUYDAUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.C3H8/c1-12(2)11-15(9-10-17)13-5-7-14(8-6-13)16(19)18(3)4;1-3-2/h5-8,12,15H,9-11,17H2,1-4H3;3H2,1-2H3.
What are the key properties of 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane?
4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane has a molecular weight of 306.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-5-methylhexan-3-yl)-N,N-dimethylbenzamide;propane is sourced from PubChem (CID 177354297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).