4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide

C16H27N3O — CID 79662080

IUPAC4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
SMILESCCCN(Cc1ccc(C(N)=O)cc1)CC(C)(C)CN
InChIInChI=1S/C16H27N3O/c1-4-9-19(12-16(2,3)11-17)10-13-5-7-14(8-6-13)15(18)20/h5-8H,4,9-12,17H2,1-3H3,(H2,18,20)
InChIKeyDKGUPKYITQQMNO-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.98
Rot. Bonds8

About 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide

4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide (PubChem CID 79662080) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
PubChem CID79662080
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
SMILESCCCN(Cc1ccc(C(N)=O)cc1)CC(C)(C)CN
InChIInChI=1S/C16H27N3O/c1-4-9-19(12-16(2,3)11-17)10-13-5-7-14(8-6-13)15(18)20/h5-8H,4,9-12,17H2,1-3H3,(H2,18,20)
InChIKeyDKGUPKYITQQMNO-UHFFFAOYSA-N
XLogP1.98
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N'-propyl-N'-[(4-trimethylsilylphenyl)methyl]propane-1,3-diamine
CID 103438203
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
4-[(dipropylamino)methyl]benzoyl chloride
CID 15662524
4-[(dipropylamino)methyl]-N-methyl-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 50967194
methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate
CID 79661260
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667468
N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717
3-[(dipropylamino)methyl]benzamide
CID 82041313
N'-[[3-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668545
2-[(4-carbamoylphenyl)methyl-(carboxymethyl)amino]acetic acid
CID 63645116
2,5-dihydropyrrol-1-yl-[4-[(dipropylamino)methyl]phenyl]methanone
CID 50985068

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide?
The IUPAC name of 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide (CID 79662080) is 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide?
The canonical SMILES for 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide is CCCN(Cc1ccc(C(N)=O)cc1)CC(C)(C)CN.
What is the InChIKey of 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide?
The InChIKey is DKGUPKYITQQMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-19(12-16(2,3)11-17)10-13-5-7-14(8-6-13)15(18)20/h5-8H,4,9-12,17H2,1-3H3,(H2,18,20).
What are the key properties of 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide?
4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide has a molecular weight of 277.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide is sourced from PubChem (CID 79662080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).