N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide

C15H23N3O — CID 54884490

IUPACN-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(CN)cc1)CC1CC1
InChIInChI=1S/C15H23N3O/c1-18(11-13-2-3-13)9-8-15(19)17-14-6-4-12(10-16)5-7-14/h4-7,13H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyLWJITWIWWFSFSI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.82
Rot. Bonds7

About N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide

N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide (PubChem CID 54884490) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
PubChem CID54884490
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(CN)cc1)CC1CC1
InChIInChI=1S/C15H23N3O/c1-18(11-13-2-3-13)9-8-15(19)17-14-6-4-12(10-16)5-7-14/h4-7,13H,2-3,8-11,16H2,1H3,(H,17,19)
InChIKeyLWJITWIWWFSFSI-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
CID 16780915
N-[4-(aminomethyl)phenyl]-2-[methyl(oxan-4-ylmethyl)amino]acetamide
CID 63726100
N-[4-(aminomethyl)phenyl]-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63693042
N-[3-(aminomethyl)phenyl]-4-[cyclobutylmethyl(methyl)amino]butanamide
CID 62862333
N-(4-carbamothioylphenyl)-4-[cyclopropylmethyl(methyl)amino]butanamide
CID 60984633
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
3-[cyclopropylmethyl(methyl)amino]propanehydrazide
CID 63571724
N-[4-(aminomethyl)phenyl]-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43479003
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide (CID 54884490) is N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide is CN(CCC(=O)Nc1ccc(CN)cc1)CC1CC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide?
The InChIKey is LWJITWIWWFSFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(11-13-2-3-13)9-8-15(19)17-14-6-4-12(10-16)5-7-14/h4-7,13H,2-3,8-11,16H2,1H3,(H,17,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide?
N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-[cyclopropylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 54884490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).