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

C15H26N4O — CID 63694626

IUPACN-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
SMILESCN(C)CCCN(C)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H26N4O/c1-18(2)8-5-9-19(3)12-15(20)17-14-7-4-6-13(10-14)11-16/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3,(H,17,20)
InChIKeyKCNIUOLLSQVFGZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.97
Rot. Bonds8

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

N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide (PubChem CID 63694626) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
PubChem CID63694626
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
SMILESCN(C)CCCN(C)CC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C15H26N4O/c1-18(2)8-5-9-19(3)12-15(20)17-14-7-4-6-13(10-14)11-16/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3,(H,17,20)
InChIKeyKCNIUOLLSQVFGZ-UHFFFAOYSA-N
XLogP0.97
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
ethyl 2-[[2-[3-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63380543
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61422115
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
N-[3-(aminomethyl)phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 16782283
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
N-[3-(aminomethyl)phenyl]-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 61438483
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
N-[3-(aminomethyl)phenyl]-2-[butan-2-yl(ethyl)amino]acetamide
CID 43274235

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide (CID 63694626) is N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide is CN(C)CCCN(C)CC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide?
The InChIKey is KCNIUOLLSQVFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-18(2)8-5-9-19(3)12-15(20)17-14-7-4-6-13(10-14)11-16/h4,6-7,10H,5,8-9,11-12,16H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide?
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide has a molecular weight of 278.40 g/mol, XLogP of 0.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide is sourced from PubChem (CID 63694626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).