3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide

C15H25N3O — CID 61479913

IUPAC3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
SMILESCC(C)C(CN(C)C)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H25N3O/c1-11(2)14(10-18(3)4)17-9-12-6-5-7-13(8-12)15(16)19/h5-8,11,14,17H,9-10H2,1-4H3,(H2,16,19)
InChIKeyMKBFMJRQCPYJST-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.46
Rot. Bonds7

About 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide

3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide (PubChem CID 61479913) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
PubChem CID61479913
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide
SMILESCC(C)C(CN(C)C)NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H25N3O/c1-11(2)14(10-18(3)4)17-9-12-6-5-7-13(8-12)15(16)19/h5-8,11,14,17H,9-10H2,1-4H3,(H2,16,19)
InChIKeyMKBFMJRQCPYJST-UHFFFAOYSA-N
XLogP1.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
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3-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 61476831
3-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]benzoic acid
CID 106350971
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzoic acid
CID 103256513
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[[3-(dimethylamino)propylamino]methyl]benzamide
CID 28583702
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
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2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
CID 62696371

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide?
The IUPAC name of 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide (CID 61479913) is 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide is CC(C)C(CN(C)C)NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide?
The InChIKey is MKBFMJRQCPYJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)14(10-18(3)4)17-9-12-6-5-7-13(8-12)15(16)19/h5-8,11,14,17H,9-10H2,1-4H3,(H2,16,19).
What are the key properties of 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide?
3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide has a molecular weight of 263.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 61479913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).