N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate

C11H18N2O2V — CID 25061500

IUPACN-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
SMILESCCC(=O)NCc1cccc(CN)c1.O.[V]
InChIInChI=1S/C11H16N2O.H2O.V/c1-2-11(14)13-8-10-5-3-4-9(6-10)7-12;;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H2;
InChIKeyFLZDNOCYDYBRMA-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.34
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate

N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate (PubChem CID 25061500) has the molecular formula C11H18N2O2V and a molecular weight of 261.22 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
PubChem CID25061500
Molecular FormulaC11H18N2O2V
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
SMILESCCC(=O)NCc1cccc(CN)c1.O.[V]
InChIInChI=1S/C11H16N2O.H2O.V/c1-2-11(14)13-8-10-5-3-4-9(6-10)7-12;;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H2;
InChIKeyFLZDNOCYDYBRMA-UHFFFAOYSA-N
XLogP0.34
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
3-[(propanoylamino)methyl]benzamide
CID 32636451
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
3-[(propanoylamino)methyl]benzoic acid
CID 20745849
1-[[3-(aminomethyl)phenyl]methyl]-3-(cyanomethyl)urea
CID 108864734
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
CID 25062030
1-[[3-(aminomethyl)phenyl]methyl]-3-tert-butylurea
CID 43589459
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
CID 20647301
2-hydroxybutyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 167629788
1-[[3-(aminomethyl)phenyl]methyl]-3-[(4-bromophenyl)methyl]urea
CID 108899439

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate (CID 25061500) is N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate is CCC(=O)NCc1cccc(CN)c1.O.[V].
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate?
The InChIKey is FLZDNOCYDYBRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.H2O.V/c1-2-11(14)13-8-10-5-3-4-9(6-10)7-12;;/h3-6H,2,7-8,12H2,1H3,(H,13,14);1H2;.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate?
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate has a molecular weight of 261.22 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate is sourced from PubChem (CID 25061500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).