N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide

C16H28N4O — CID 63693042

IUPACN-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCN(C)CCCN(C)CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H28N4O/c1-19(2)10-4-11-20(3)12-9-16(21)18-15-7-5-14(13-17)6-8-15/h5-8H,4,9-13,17H2,1-3H3,(H,18,21)
InChIKeyMFXLVOWFVYUVAY-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.36
Rot. Bonds9

About N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide

N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide (PubChem CID 63693042) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
PubChem CID63693042
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCN(C)CCCN(C)CCC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C16H28N4O/c1-19(2)10-4-11-20(3)12-9-16(21)18-15-7-5-14(13-17)6-8-15/h5-8H,4,9-13,17H2,1-3H3,(H,18,21)
InChIKeyMFXLVOWFVYUVAY-UHFFFAOYSA-N
XLogP1.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884490
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694949
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276
N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693223
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954498
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
CID 16780915
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide (CID 63693042) is N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide is CN(C)CCCN(C)CCC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide?
The InChIKey is MFXLVOWFVYUVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19(2)10-4-11-20(3)12-9-16(21)18-15-7-5-14(13-17)6-8-15/h5-8H,4,9-13,17H2,1-3H3,(H,18,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide?
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide is sourced from PubChem (CID 63693042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).