N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide

C16H28N4O — CID 63693223

IUPACN-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(CN)cc1)N(C)CCCN(C)C
InChIInChI=1S/C16H28N4O/c1-13(20(4)11-5-10-19(2)3)16(21)18-15-8-6-14(12-17)7-9-15/h6-9,13H,5,10-12,17H2,1-4H3,(H,18,21)
InChIKeyUTLMJGWBRSQYBX-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.36
Rot. Bonds8

About N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide

N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide (PubChem CID 63693223) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide
PubChem CID63693223
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide
SMILESCC(C(=O)Nc1ccc(CN)cc1)N(C)CCCN(C)C
InChIInChI=1S/C16H28N4O/c1-13(20(4)11-5-10-19(2)3)16(21)18-15-8-6-14(12-17)7-9-15/h6-9,13H,5,10-12,17H2,1-4H3,(H,18,21)
InChIKeyUTLMJGWBRSQYBX-UHFFFAOYSA-N
XLogP1.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373924
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-(3-aminophenyl)-2-[3-(dimethylamino)propyl-ethylamino]propanamide
CID 102991480
N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43479003
N-[4-(aminomethyl)phenyl]-2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43575674
N-[4-(aminomethyl)phenyl]-2-cyanopropanamide
CID 82506537
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198478

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide (CID 63693223) is N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide is CC(C(=O)Nc1ccc(CN)cc1)N(C)CCCN(C)C.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide?
The InChIKey is UTLMJGWBRSQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(20(4)11-5-10-19(2)3)16(21)18-15-8-6-14(12-17)7-9-15/h6-9,13H,5,10-12,17H2,1-4H3,(H,18,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide?
N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide has a molecular weight of 292.43 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]propanamide is sourced from PubChem (CID 63693223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).