N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide

C16H25N3O — CID 43270105

IUPACN-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
SMILESCCCN(C1CC1)C(C)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H25N3O/c1-3-9-19(15-7-8-15)12(2)16(20)18-14-6-4-5-13(10-14)11-17/h4-6,10,12,15H,3,7-9,11,17H2,1-2H3,(H,18,20)
InChIKeyHUUVZYZTDWXMMT-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds7

About N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide

N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide (PubChem CID 43270105) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
PubChem CID43270105
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
SMILESCCCN(C1CC1)C(C)C(=O)Nc1cccc(CN)c1
InChIInChI=1S/C16H25N3O/c1-3-9-19(15-7-8-15)12(2)16(20)18-14-6-4-5-13(10-14)11-17/h4-6,10,12,15H,3,7-9,11,17H2,1-2H3,(H,18,20)
InChIKeyHUUVZYZTDWXMMT-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
CID 43270011
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373924
2-[2-aminoethyl(cyclopentyl)amino]-N-phenylpropanamide
CID 63761281
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
CID 16782680
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(3-aminophenyl)-2-(dipropylamino)propanamide
CID 16778715
N-[3-(aminomethyl)phenyl]-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668137
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide (CID 43270105) is N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide is CCCN(C1CC1)C(C)C(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide?
The InChIKey is HUUVZYZTDWXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-19(15-7-8-15)12(2)16(20)18-14-6-4-5-13(10-14)11-17/h4-6,10,12,15H,3,7-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide?
N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide is sourced from PubChem (CID 43270105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).